Dihydrofolate reductase
Escherichia coli
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 1–159 | Not recorded | LG3 PYRIMIDINE-2,4-DIAMINE × 1 8DM N-(4-aminobenzene-1-carbonyl)-L-glutamic acid × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；2mM NADP,10mM DAP,50mM p-ABP,0.2M Magnesium Formate,20% PEG3350 | Resolution 1.93 Å R-free 0.230 |
| 2 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain B； UniProt 1–159 | Not recorded | LG3 PYRIMIDINE-2,4-DIAMINE × 1 BME BETA-MERCAPTOETHANOL × 1 FMT FORMIC ACID × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；2mM NADP,10mM DAP,50mM p-ABP,0.2M Magnesium Formate,20% PEG3350 | Resolution 1.93 Å R-free 0.230 |
| 3 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain C； UniProt 1–159 | Not recorded | LG3 PYRIMIDINE-2,4-DIAMINE × 1 8DM N-(4-aminobenzene-1-carbonyl)-L-glutamic acid × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 BME BETA-MERCAPTOETHANOL × 1 FMT FORMIC ACID × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；2mM NADP,10mM DAP,50mM p-ABP,0.2M Magnesium Formate,20% PEG3350 | Resolution 1.93 Å R-free 0.230 |
| 4 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain D； UniProt 1–159 | Not recorded | LG3 PYRIMIDINE-2,4-DIAMINE × 1 8DM N-(4-aminobenzene-1-carbonyl)-L-glutamic acid × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 BME BETA-MERCAPTOETHANOL × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；2mM NADP,10mM DAP,50mM p-ABP,0.2M Magnesium Formate,20% PEG3350 | Resolution 1.93 Å R-free 0.230 |
| 5 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain E； UniProt 1–159 | Not recorded | LG3 PYRIMIDINE-2,4-DIAMINE × 1 8DM N-(4-aminobenzene-1-carbonyl)-L-glutamic acid × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 BME BETA-MERCAPTOETHANOL × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；2mM NADP,10mM DAP,50mM p-ABP,0.2M Magnesium Formate,20% PEG3350 | Resolution 1.93 Å R-free 0.230 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 5UIO | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1DDR MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND UREA Deposited 1995-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 MTX METHOTREXATE × 2 URE UREA × 5 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.45 Å R-free 0.171 |
| 1DDS MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE Deposited 1995-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 MTX METHOTREXATE × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å R-free 0.200 |
| 1DHI LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE Deposited 1993-10-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 MTX METHOTREXATE × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 1DHJ LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE Deposited 1993-10-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 MTX METHOTREXATE × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å |
| 1DRA CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING Deposited 1991-11-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 MTX METHOTREXATE × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 1DRB CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING Deposited 1991-11-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 MTX METHOTREXATE × 2 EOH ETHANOL × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.96 Å |
| 1DRE DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM) Deposited 1996-11-28 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MTX METHOTREXATE × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；pH 6.0
|
Resolution 2.60 Å |
| 1DRH ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS Deposited 1994-11-30 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å |
| 1DYH ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS Deposited 1994-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 DZF 5-DEAZAFOLIC ACID × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 1DYI ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS Deposited 1994-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 FOL FOLIC ACID × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 1DYJ ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS Deposited 1994-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 DDF 5,10-DIDEAZATETRAHYDROFOLIC ACID × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.85 Å |
| 1JOL THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE Deposited 1996-02-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 FFO N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.96 Å |
| 1JOM THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE Deposited 1996-02-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 1 CA CALCIUM ION × 1 FFO N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid × 1 EOH ETHANOL × 3 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 1RA1 DIHYDROFOLATE REDUCTASE COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM) Deposited 1996-10-30 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | CA CALCIUM ION × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 1.90 Å |
| 1RA2 DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM) Deposited 1996-10-28 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 1.60 Å |
| 1RA3 DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM) Deposited 1996-10-28 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MTX METHOTREXATE × 1 BME BETA-MERCAPTOETHANOL × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；pH 6.0
|
Resolution 1.80 Å |
| 1RA8 DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 2-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE Deposited 1996-11-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 ATR 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 1.80 Å |
| 1RA9 DIHYDROFOLATE REDUCTASE COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM) Deposited 1996-10-28 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 1.55 Å |
| 1RB2 DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM) Deposited 1996-11-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 2 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；pH 8.0
|
Resolution 2.10 Å |
| 1RB3 DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM) Deposited 1996-11-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | MTX METHOTREXATE × 2 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.30 Å |
| 1RC4 DIHYDROFOLATE REDUCTASE COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM) Deposited 1996-11-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | DDF 5,10-DIDEAZATETRAHYDROFOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 1.90 Å |
| 1RD7 DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE Deposited 1996-11-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 2 BME BETA-MERCAPTOETHANOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；pH 8.5
|
Resolution 2.60 Å |
| 1RE7 DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE Deposited 1996-11-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；pH 8.0
|
Resolution 2.60 Å |
| 1RF7 STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDROFOLATE Deposited 1996-10-24 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 1 MN MANGANESE (II) ION × 1 DHF DIHYDROFOLIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.6；pH 6.6
|
Resolution 1.80 Å |
| 1RG7 DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE Deposited 1996-11-27 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MTX METHOTREXATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 2.00 Å |
| 1RH3 DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM) Deposited 1996-11-27 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MTX METHOTREXATE × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.40 Å |
| 1RX1 DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM) Deposited 1996-09-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | CA CALCIUM ION × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；pH 8.0
|
Resolution 2.00 Å |
| 1RX2 DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH WITH FOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM) Deposited 1996-09-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MN MANGANESE (II) ION × 1 FOL FOLIC ACID × 1 BME BETA-MERCAPTOETHANOL × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 1.80 Å |
| 1RX3 DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM) Deposited 1996-09-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MN MANGANESE (II) ION × 1 MTX METHOTREXATE × 1 BME BETA-MERCAPTOETHANOL × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.20 Å |
| 1RX4 DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE Deposited 1996-09-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | DDF 5,10-DIDEAZATETRAHYDROFOLIC ACID × 1 BME BETA-MERCAPTOETHANOL × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；pH 6.0
|
Resolution 2.20 Å |
| 1RX5 DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE Deposited 1996-09-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | DDF 5,10-DIDEAZATETRAHYDROFOLIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；pH 7.4
|
Resolution 2.30 Å |
| 1RX6 DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM) Deposited 1996-09-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | DDF 5,10-DIDEAZATETRAHYDROFOLIC ACID × 1 BME BETA-MERCAPTOETHANOL × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；pH 6.0
|
Resolution 2.00 Å |
| 1RX7 STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE Deposited 1996-10-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.30 Å |
| 1RX8 DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE Deposited 1996-10-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MN MANGANESE (II) ION × 1 FOL FOLIC ACID × 1 BME BETA-MERCAPTOETHANOL × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.80 Å |
| 1RX9 DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM) Deposited 1996-10-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | CA CALCIUM ION × 1 BME BETA-MERCAPTOETHANOL × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 1.90 Å |
| 2ANO Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17 Deposited 2005-08-11 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MN MANGANESE (II) ION × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 817 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；PEG 6000, imidazole, calcium chloride, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.68 Å R-free 0.250 |
| 2ANQ Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a. Deposited 2005-08-11 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MN MANGANESE (II) ION × 2 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 C1A (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；297.15 K；PEG 6000, imidazole, calcium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 297.15K
|
Resolution 2.13 Å R-free 0.256 |
| 2DRC INVESTIGATION OF THE FUNCTIONAL ROLE OF TRYPTOPHAN-22 IN ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BY SITE-DIRECTED MUTAGENESIS Deposited 1992-06-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 MTX METHOTREXATE × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 2INQ Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate Deposited 2006-10-08 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Mutation：N37D | MT1 N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID × 1 |
NEUTRON DIFFRACTION
X-ray crystallization conditions
pH 7.5；277 K；16% (v/v) Polyethylene Glycol 400, 0.2 M CaCl2, 0.1 M Na-HEPES (pH = 7.5); complex [] = 50 mg/ml, Microbatch under parrafin oil, temperature 277K, pH 7.50
|
Resolution 2.20 Å R-free 0.233 |
| 2INQ Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate Deposited 2006-10-08 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–159（159 aa）
|
Mutation：N37D | MT1 N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID × 1 |
NEUTRON DIFFRACTION
X-ray crystallization conditions
pH 7.5；277 K；16% (v/v) Polyethylene Glycol 400, 0.2 M CaCl2, 0.1 M Na-HEPES (pH = 7.5); complex [] = 50 mg/ml, Microbatch under parrafin oil, temperature 277K, pH 7.50
|
Resolution 2.20 Å R-free 0.233 |
| 3DAU Crystal structure of the ternary MTX NADPH complex of Escherichia coli dihydrofolate reductase Deposited 2008-05-30 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MTX METHOTREXATE × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.50 Å R-free 0.186 |
| 3DRC INVESTIGATION OF THE FUNCTIONAL ROLE OF TRYPTOPHAN-22 IN ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BY SITE-DIRECTED MUTAGENESIS Deposited 1992-09-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 MTX METHOTREXATE × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 3K74 Disruption of protein dynamics by an allosteric effector antibody Deposited 2009-10-12 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.5；298 K；40% v/v PEG300, 5% w/v PEG1000, 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, temperature 298K
|
Resolution 1.95 Å R-free 0.240 |
| 3KFY Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR Deposited 2009-10-28 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 JZM 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine × 1 CA CALCIUM ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；30 mg/mL DHFR, 20 mM imidazole at pH 8, 350 mM CaCl2, and 29% PEG-6000, with microseeding. Concentration to 30mg/ml in the presence of inhibitor., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.08 Å R-free 0.243 |
| 3OCH Chemically Self-assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic Deposited 2010-08-10 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 1 2MX (2S,2'S)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；273 K；14-24% PEG 6K, 200 mM MnCl2, 18-24 mM KPO4, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 273K
|
Resolution 1.79 Å R-free 0.242 |
| 3OCH Chemically Self-assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic Deposited 2010-08-10 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 MN MANGANESE (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；273 K；14-24% PEG 6K, 200 mM MnCl2, 18-24 mM KPO4, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 273K
|
Resolution 1.79 Å R-free 0.242 |
| 3OCH Chemically Self-assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic Deposited 2010-08-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 3 2MX (2S,2'S)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name) × 1 MN MANGANESE (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；273 K；14-24% PEG 6K, 200 mM MnCl2, 18-24 mM KPO4, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 273K
|
Resolution 1.79 Å R-free 0.242 |
| 3QL3 Re-refined coordinates for PDB entry 1RX2 Deposited 2011-02-02 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å R-free 0.213 |
| 3QYL Sensitivity of receptor internal motions to ligand binding affinity and kinetic off-rate Deposited 2011-03-03 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | 7ME (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CA CALCIUM ION × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；298 K；20 mg/mL DHFR, 20 mM imidazole, 325 mM CaCl2, 34% PEG-6000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.79 Å R-free 0.209 |
| 3QYO Sensitivity of receptor internal motions to ligand binding affinity and kinetic off-rate Deposited 2011-03-03 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | Q24 quinazoline-2,4-diamine × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CA CALCIUM ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；20 mg/mL DHFR, 20 mM imidazole, 325 mM CaCl2, 34% PEG-6000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.09 Å R-free 0.236 |
| 3R33 Evidence for dynamic motion in proteins as a mechanism for ligand dissociation Deposited 2011-03-15 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | 6ME (6S)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CA CALCIUM ION × 17 CL CHLORIDE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20 mg/mL DHFR, 20 mM imidazole, 300 mM CaCl2, 30% PEG-6000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.09 Å R-free 0.245 |
| 4DFR CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE Deposited 1982-06-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 2 MTX METHOTREXATE × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.70 Å |
| 4EIG CA1698 camel antibody fragment in complex with DHFR Deposited 2012-04-05 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；20% PEG w/v 1500, 0.1M Tris, 0.1M Ammonium Sulphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.220 |
| 4EIZ Structure of Nb113 bound to apoDHFR Deposited 2012-04-06 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；25.5% PEG4000, 0.085M NaCitrate, 0.17 M Ammonium Sulphate, 25% Glycerol, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.20 Å R-free 0.224 |
| 4EIZ Structure of Nb113 bound to apoDHFR Deposited 2012-04-06 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–159（159 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；25.5% PEG4000, 0.085M NaCitrate, 0.17 M Ammonium Sulphate, 25% Glycerol, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.20 Å R-free 0.224 |
| 4EJ1 Binding of Nb113 camelid antibody fragment with the binary DHFR:folate complex Deposited 2012-04-06 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 PO4 PHOSPHATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.4；293 K；30% PEG1000, 100 mM phosphate/citrate, 110 mM Lithium Citrate, pH 4.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.75 Å R-free 0.224 |
| 4EJ1 Binding of Nb113 camelid antibody fragment with the binary DHFR:folate complex Deposited 2012-04-06 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 PO4 PHOSPHATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.4；293 K；30% PEG1000, 100 mM phosphate/citrate, 110 mM Lithium Citrate, pH 4.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.75 Å R-free 0.224 |
| 4FHB Enhancing DHFR catalysis by binding of an allosteric regulator nanobody (Nb179) Deposited 2012-06-06 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；0.2M sodium chloride, 0.1M Na HEPES, 25% w/v PEG 4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
|
Resolution 2.80 Å R-free 0.296 |
| 4GH8 Crystal structure of a 'humanized' E. coli dihydrofolate reductase Deposited 2012-08-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–158（158 aa）
|
Mutation：N23PP, G51PEKN | MTX METHOTREXATE × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；200 mM Calcium Acetate
38% Peg 400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.85 Å R-free 0.245 |
| 4GH8 Crystal structure of a 'humanized' E. coli dihydrofolate reductase Deposited 2012-08-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–158（158 aa）
|
Mutation：N23PP, G51PEKN | MTX METHOTREXATE × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；200 mM Calcium Acetate
38% Peg 400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.85 Å R-free 0.245 |
| 4I13 Nanobody ca1697 binding to the DHFR.folate binary complex Deposited 2012-11-19 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；17% w/v PEG 1500, 10% v/v MPD, 50mM PIPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.60 Å R-free 0.180 |
| 4I1N R104A-ca1697 nanobody binding to the binary DHFR.folate complex Deposited 2012-11-21 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；30% v/v PEG 200, 5% w/v PEG 3000, 100mM MES Sodium Salt, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.89 Å R-free 0.214 |
| 4KJJ Cryogenic WT DHFR Deposited 2013-05-03 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM HEPES pH 7.5, 21% PEG8000, 200mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.15 Å R-free 0.157 |
| 4KJK Room Temperature WT DHFR Deposited 2013-05-03 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 CA CALCIUM ION × 2 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM HEPES pH 7.5, 21% PEG8000, 200mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.35 Å R-free 0.165 |
| 4KJL Room Temperature N23PPS148A DHFR Deposited 2013-05-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Mutation：N23P, S148A | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM HEPES pH 7.5, 21% PEG8000, 200mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.38 Å R-free 0.180 |
| 4NX6 single room temperature model of DHFR Deposited 2013-12-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 BME BETA-MERCAPTOETHANOL × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100MM HEPES PH 7.5, 21% PEG8000, 200MM MGCL2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.35 Å R-free 0.190 |
| 4NX7 single cryogenic temperature model of DHFR Deposited 2013-12-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MN MANGANESE (II) ION × 1 FOL FOLIC ACID × 1 BME BETA-MERCAPTOETHANOL × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100MM HEPES PH 7.5, 21% PEG8000, 200MM MGCL2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.15 Å R-free 0.169 |
| 4PDJ Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ Deposited 2014-04-18 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MN MANGANESE (II) ION × 2 DHF DIHYDROFOLIC ACID × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
Experimental method not declared
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；40mg/mL DHFR-folate-NADP+ complex, 12% (v/v) PEG400, 100 mM MnCl2, 20 mM imidazole, pH7.0
|
Resolution not provided |
| 4X5F ecDHFR complexed with folate and NADP+ at 0.1 MPa Deposited 2014-12-05 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 BME BETA-MERCAPTOETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 6000, imidazole, calcium chloride
|
Resolution 1.70 Å R-free 0.190 |
| 4X5F ecDHFR complexed with folate and NADP+ at 0.1 MPa Deposited 2014-12-05 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 BME BETA-MERCAPTOETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 6000, imidazole, calcium chloride
|
Resolution 1.70 Å R-free 0.190 |
| 4X5G ecDHFR complexed with folate and NADP+ at 270 MPa Deposited 2014-12-05 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 BME BETA-MERCAPTOETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 6000, imidazole, calcium chloride
|
Resolution 1.90 Å R-free 0.209 |
| 4X5G ecDHFR complexed with folate and NADP+ at 270 MPa Deposited 2014-12-05 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 BME BETA-MERCAPTOETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 6000, imidazole, calcium chloride
|
Resolution 1.90 Å R-free 0.209 |
| 4X5H ecDHFR complexed with folate and NADP+ at 500 MPa Deposited 2014-12-05 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 BME BETA-MERCAPTOETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 6000, imidazole, calcium chloride
|
Resolution 1.90 Å R-free 0.222 |
| 4X5I ecDHFR complexed with folate and NADP+ at 660 MPa Deposited 2014-12-05 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 BME BETA-MERCAPTOETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 6000, imidazole, calcium chloride
|
Resolution 1.80 Å R-free 0.240 |
| 4X5J ecDHFR complexed with folate and NADP+ at 750 MPa Deposited 2014-12-05 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 BME BETA-MERCAPTOETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 6000, imidazole, calcium chloride
|
Resolution 1.85 Å R-free 0.264 |
| 5DFR CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING Deposited 1988-10-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 3 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å |
| 5SSS DHFR:NADP+:FOL complex at 270 K (crystal 1) Deposited 2022-07-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.14 Å R-free 0.167 |
| 5SST DHFR:NADP+:FOL complex at 270 K (crystal 2) Deposited 2022-07-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.07 Å R-free 0.148 |
| 5SSU DHFR:NADP+:FOL complex at 270 K (crystal 3) Deposited 2022-07-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.12 Å R-free 0.169 |
| 5SSV DHFR:NADP+:FOL complex at 270 K (crystal 4) Deposited 2022-07-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.08 Å R-free 0.174 |
| 5SSW DHFR:NADP+:FOL complex at 270 K (multi-crystal) Deposited 2022-07-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.06 Å R-free 0.144 |
| 5UIH structure of DHFR with bound phenformin and NADP Deposited 2017-01-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | 8CV N-(2-phenylethyl)imidodicarbonimidic diamide × 1 NA SODIUM ION × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 BME BETA-MERCAPTOETHANOL × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；5mM phenformin, 1.15mM NADP,10mM trisodium citrate, 33% PEG 6K
|
Resolution 1.65 Å R-free 0.216 |
| 5UII structure of DHFR with bound buformin and NADP Deposited 2017-01-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–159（158 aa）
|
Mutation：C152S | NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 BFR N-butyl-N'-(diaminomethylidene)guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；10mM buformin,2mM NADP,50mM Bis-Tris propane,60mM MgCl2,20% PEG 400
|
Resolution 1.35 Å R-free 0.174 |
| 5UIP structure of DHFR with bound DAP, p-ABG and NADP Deposited 2017-01-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–159（158 aa）
|
Mutation：C152S | 8DM N-(4-aminobenzene-1-carbonyl)-L-glutamic acid × 1 LG3 PYRIMIDINE-2,4-DIAMINE × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；2mM NADP,10mM 2,4 diaminopyridine,50mM N-(4aminobenzoyl)-L-glutamate
|
Resolution 1.90 Å R-free 0.191 |
| 5UIP structure of DHFR with bound DAP, p-ABG and NADP Deposited 2017-01-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
2–159（158 aa）
|
Mutation：C152S | 8DM N-(4-aminobenzene-1-carbonyl)-L-glutamic acid × 1 LG3 PYRIMIDINE-2,4-DIAMINE × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；2mM NADP,10mM 2,4 diaminopyridine,50mM N-(4aminobenzoyl)-L-glutamate
|
Resolution 1.90 Å R-free 0.191 |
| 5W3Q L28F E.coli DHFR in complex with NADPH Deposited 2017-06-08 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Mutation：L28F | NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；100 mM imidazole pH 8.0, 25% w/v PEG6000, 450 mM CaCl2
|
Resolution 1.40 Å R-free 0.168 |
| 5Z6F High-pressure Crystal Structure Analysis of DHFR(0.1 MPa) Deposited 2018-01-22 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 400, CaCl, imidazole buffer
|
Resolution 1.80 Å R-free 0.210 |
| 5Z6J High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 220 MPa Deposited 2018-01-23 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 400, CaCl, imidazole buffer
|
Resolution 1.80 Å R-free 0.203 |
| 5Z6K High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 400 MPa Deposited 2018-01-23 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 400, CaCl, imidazole buffer
|
Resolution 1.80 Å R-free 0.214 |
| 5Z6L High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 650 MPa Deposited 2018-01-23 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 400, CaCl, imidazole buffer
|
Resolution 1.90 Å R-free 0.233 |
| 5Z6M High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 800 MPa Deposited 2018-01-23 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 400, CaCl, imidazole buffer
|
Resolution 2.20 Å R-free 0.306 |
| 6CQA E. coli DHFR complex with inhibitor AMPQD Deposited 2018-03-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | SO4 SULFATE ION × 2 PQD 7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 3.5；293.15 K；8-10mg/ml protein with 80uM AMPQD and 0.5mM NADPH in 50mM HEPES pH 7.3, 100mM NaCl (concentrated after dialysis), mixed at 1:1 v/v ratio with reservoir solution of 0.1M Citrate pH 3.5, 15% PEG6000, 150mM Lithium sulfate
|
Resolution 2.20 Å R-free 0.259 |
| 6DFR CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. THE NADP+ HOLOENZYME AND THE FOLATE(DOT)NADP+ TERNARY COMPLEX. SUBSTRATE BINDING AND A MODEL FOR THE TRANSITION STATE Deposited 1988-10-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | CA CALCIUM ION × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å |
| 6MR9 E. coli DHFR complex with a reaction intermediate Deposited 2018-10-12 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 3 MG MAGNESIUM ION × 4 THG (6S)-5,6,7,8-TETRAHYDROFOLATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；20 mg/ml protein working stock was prepared from 2:1 v/v mixing of 30mg/ml protein in 20mM Tris pH 8, 1mM DTT and 50mM HEPES pH 7.3, 100mM NaCl. Then the working protein stock at 20 mg/ml is mixed at 1:1 v/v ratio with reservoir solution of 0.1M MES pH 6.5, 30% PEG3350, 0.4M MgCl2
|
Resolution 1.35 Å R-free 0.191 |
| 6MT8 E. coli DHFR complex modeled with two ligand states Deposited 2018-10-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 3 MG MAGNESIUM ION × 4 THG (6S)-5,6,7,8-TETRAHYDROFOLATE × 1 DHF DIHYDROFOLIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；20 mg/ml protein working stock was prepared from 2:1 v/v mixing of 30mg/ml protein in 20mM Tris pH 8, 1mM DTT and 50mM HEPES pH 7.3, 100mM NaCl. Then the working protein stock at 20 mg/ml is mixed at 1:1 v/v ratio with reservoir solution of 0.1M MES pH 6.5, 30% PEG3350, 0.4M MgCl2
|
Resolution 1.35 Å R-free 0.190 |
| 6MTH E. coli DHFR complex modeled with three ligand states Deposited 2018-10-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | CL CHLORIDE ION × 3 MG MAGNESIUM ION × 4 THG (6S)-5,6,7,8-TETRAHYDROFOLATE × 2 DHF DIHYDROFOLIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；20 mg/ml protein working stock was prepared from 2:1 v/v mixing of 30mg/ml protein in 20mM Tris pH 8, 1mM DTT and 50mM HEPES pH 7.3, 100mM NaCl. Then the working protein stock at 20 mg/ml is mixed at 1:1 v/v ratio with reservoir solution of 0.1M MES pH 6.5, 30% PEG3350, 0.4M MgCl2
|
Resolution 1.35 Å R-free 0.190 |
| 6RUL Crystal structure of GFP-LAMA-F98 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH Deposited 2019-05-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
24–159（136 aa）
Chain A
1–23（23 aa）
|
Not recorded | TOP TRIMETHOPRIM × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.1 M MES pH 6.0, 30% (v/v) PEG 600, 5% (w/v) PEG 1000, 10% (v/v) glycerol
|
Resolution 2.20 Å R-free 0.220 |
| 6RUM Crystal structure of GFP-LAMA-G97 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH Deposited 2019-05-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
24–159（136 aa）
Chain A
1–23（23 aa）
|
Not recorded | TOP TRIMETHOPRIM × 1 NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CL CHLORIDE ION × 3 PG4 TETRAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.1 M MES pH 6.0, 20% (w/v) PEG 6000, 1.0 M lithium chloride
|
Resolution 1.60 Å R-free 0.228 |
| 6XG4 X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim Deposited 2020-06-16 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Mutation：L28R | NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 GOL GLYCEROL × 1 TOP TRIMETHOPRIM × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.1 M sodium citrate tribasic dihydrate (pH 5.6), 0.15 M ammonium acetate and 17.5% or 20% PEG 4000;
10 mM NADPH, 2 mM TMP was incubated with the L28R variant of DHFR overnight at 293 K
|
Resolution 2.10 Å R-free 0.278 |
| 6XG5 X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim Deposited 2020-06-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 GOL GLYCEROL × 1 TOP TRIMETHOPRIM × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.1 M sodium citrate tribasic dihydrate (pH 5.6), 0.15 M ammonium acetate and 17.5% or 20% PEG 4000;
10 mM NADPH, 2 mM trimethoprim was incubated with overnight at 293 K
|
Resolution 1.90 Å R-free 0.263 |
| 7D3Z X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5 Deposited 2020-09-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；291 K；40mg/mL DHFR-folate-NADP+ complex, 12% (v/v) PEG 400, 100mM MnCl2, 100mM NaAc, pH4.5
|
Resolution 1.65 Å R-free 0.182 |
| 7D49 X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5 Deposited 2020-09-23 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；291 K；40mg/mL DHFR-folate-NADP+ complex, 12% (v/v) PEG 400, 100mM MnCl2, 100mM NaAc, pH4.5
|
Resolution 1.65 Å R-free 0.171 |
| 7D4L X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0 Deposited 2020-09-24 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；40mg/mL DHFR-folate-NADP+ complex, 12% (v/v) PEG 400, 100mM MnCl2, 20mM imidazole, pH7.0
|
Resolution 1.60 Å R-free 0.196 |
| 7D4X X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0 Deposited 2020-09-24 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；40mg/mL DHFR-folate-NADP+ complex, 12% (v/v) PEG 400, 100mM MnCl2, 20mM imidazole, pH7.0
|
Resolution 1.60 Å R-free 0.189 |
| 7D6G Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5 Deposited 2020-09-30 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | MN MANGANESE (II) ION × 1 FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 |
Experimental method not declared
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；291 K；40mg/mL DHFR-folate-NADP+ complex, 12% (v/v) PEG 400, 100mM MnCl2, 100mM NaAc, pH4.5
|
Resolution not provided |
| 7DFR CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. THE NADP+ HOLOENZYME AND THE FOLATE(DOT)NADP+ TERNARY COMPLEX. SUBSTRATE BINDING AND A MODEL FOR THE TRANSITION STATE Deposited 1988-10-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.50 Å |
| 7F3B cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. Deposited 2021-06-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Not recorded | D4C 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 3.5；291 K；12% (wt/vol) PEG 20000, 5% (vol/vol) 2-propanol, and 0,1M sodium citrate, pH3.2
|
Resolution 2.81 Å R-free 0.273 |
| 7FPL DHFR:NADP+:FOL complex at 280 K (crystal 1) Deposited 2022-09-09 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.17 Å R-free 0.165 |
| 7FPM DHFR:NADP+:FOL complex at 280 K (crystal 2) Deposited 2022-09-09 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.04 Å R-free 0.153 |
| 7FPN DHFR:NADP+:FOL complex at 280 K (crystal 3) Deposited 2022-09-09 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.04 Å R-free 0.158 |
| 7FPO DHFR:NADP+:FOL complex at 280 K (crystal 4) Deposited 2022-09-09 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.06 Å R-free 0.171 |
| 7FPP DHFR:NADP+:FOL complex at 280 K (crystal 5) Deposited 2022-09-09 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.03 Å R-free 0.149 |
| 7FPQ DHFR:NADP+:FOL complex at 280 K (multi-crystal) Deposited 2022-09-09 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.03 Å R-free 0.138 |
| 7FPR DHFR:NADP+:FOL complex at 290 K (crystal 1) Deposited 2022-09-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.07 Å R-free 0.146 |
| 7FPS DHFR:NADP+:FOL complex at 290 K (crystal 2) Deposited 2022-09-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.26 Å R-free 0.167 |
| 7FPT DHFR:NADP+:FOL complex at 290 K (crystal 3) Deposited 2022-09-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.07 Å R-free 0.142 |
| 7FPU DHFR:NADP+:FOL complex at 290 K (crystal 4) Deposited 2022-09-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.05 Å R-free 0.147 |
| 7FPV DHFR:NADP+:FOL complex at 290 K (crystal 5) Deposited 2022-09-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.04 Å R-free 0.145 |
| 7FPW DHFR:NADP+:FOL complex at 290 K (multi-crystal) Deposited 2022-09-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.04 Å R-free 0.135 |
| 7FPX DHFR:NADP+:FOL complex at 300 K (crystal 1) Deposited 2022-09-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.06 Å R-free 0.154 |
| 7FPY DHFR:NADP+:FOL complex at 300 K (crystal 2) Deposited 2022-09-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.12 Å R-free 0.170 |
| 7FPZ DHFR:NADP+:FOL complex at 300 K (crystal 3) Deposited 2022-09-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.32 Å R-free 0.182 |
| 7FQ0 DHFR:NADP+:FOL complex at 300 K (crystal 4) Deposited 2022-09-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.15 Å R-free 0.162 |
| 7FQ1 DHFR:NADP+:FOL complex at 300 K (crystal 5) Deposited 2022-09-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.18 Å R-free 0.177 |
| 7FQ2 DHFR:NADP+:FOL complex at 300 K (multi-crystal) Deposited 2022-09-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.07 Å R-free 0.144 |
| 7FQ3 DHFR:NADP+:FOL complex at 310 K (crystal 1) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.30 Å R-free 0.187 |
| 7FQ4 DHFR:NADP+:FOL complex at 310 K (crystal 2) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.33 Å R-free 0.186 |
| 7FQ5 DHFR:NADP+:FOL complex at 310 K (crystal 3) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.35 Å R-free 0.190 |
| 7FQ6 DHFR:NADP+:FOL complex at 310 K (multi-crystal) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.29 Å R-free 0.179 |
| 7FQ7 DHFR:NADP+:FOL complex (crystal 1, pass 1, 295 K) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.10 Å R-free 0.159 |
| 7FQ8 DHFR:NADP+:FOL complex (crystal 1, pass 2, 310 K) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.21 Å R-free 0.164 |
| 7FQ9 DHFR:NADP+:FOL complex (crystal 1, pass 3, 295 K) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.11 Å R-free 0.159 |
| 7FQA DHFR:NADP+:FOL complex (crystal 1, pass 4, 280 K) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.08 Å R-free 0.159 |
| 7FQB DHFR:NADP+:FOL complex (crystal 1, pass 5, 295 K) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.14 Å R-free 0.165 |
| 7FQC DHFR:NADP+:FOL complex (crystal 2, pass 1, 295 K) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.18 Å R-free 0.160 |
| 7FQD DHFR:NADP+:FOL complex (crystal 2, pass 2, 280 K) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.17 Å R-free 0.162 |
| 7FQE DHFR:NADP+:FOL complex (crystal 2, pass 3, 295 K) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.18 Å R-free 0.164 |
| 7FQF DHFR:NADP+:FOL complex (crystal 2, pass 4, 310 K) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.23 Å R-free 0.169 |
| 7FQG DHFR:NADP+:FOL complex (crystal 2, pass 5, 295 K) Deposited 2022-09-12 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.19 Å R-free 0.164 |
| 7LVC E. coli DHFR by Native Mn,P,S-SAD at Room Temperature Deposited 2021-02-24 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2
|
Resolution 1.70 Å R-free 0.172 |
| 7NAE Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM Deposited 2021-06-21 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
|
Not recorded | TOP TRIMETHOPRIM × 2 SO4 SULFATE ION × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；18% to 20% PEG4K or 8K, 0.2M Ammonium Sulfate and 2mM DTT
|
Resolution 2.35 Å R-free 0.262 |
| 8DAI E. coli DHFR complex with NADP+ and 10-methylfolate Deposited 2022-06-13 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | R6F methopterin × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；20 mM imadazole (pH 5.4-5.8), 15-20% PEG 400, 125 mM MnCl2
|
Resolution 1.14 Å R-free 0.160 |
| 8G4Z E. coli DHFR complex with NADP+ and folate: EF-X off model by Laue diffraction (no electric field) Deposited 2023-02-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；20 mM imadazole (pH 5.4-5.8), 15-20% PEG 400, 125 mM MnCl2
|
Resolution 1.70 Å R-free 0.195 |
| 8G50 E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences) Deposited 2023-02-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；20 mM imadazole (pH 5.4-5.8), 15-20% PEG 400, 125 mM MnCl2
|
Resolution 1.70 Å R-free 0.350 |
| 8G50 E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences) Deposited 2023-02-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 MN MANGANESE (II) ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；20 mM imadazole (pH 5.4-5.8), 15-20% PEG 400, 125 mM MnCl2
|
Resolution 1.70 Å R-free 0.350 |
| 8VZ4 L54G Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form) Deposited 2024-02-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–159（159 aa）
Chain B
1–159（159 aa）
|
Mutation：L54G Mutation：L54G | NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；PEG 6000, calcium chloride, Tris
|
Resolution 1.25 Å R-free 0.195 |
| 9KZ4 Dihydrofolate reductase binding to NADPH and trimethoprim-tetramethylrhodamine Deposited 2024-12-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
2–159（158 aa）
|
Not recorded | NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 A1EHX [9-[5-[2-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-phenoxy]ethylcarbamoyl]-2-carboxy-phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium × 1 MG MAGNESIUM ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；300 K；PEG 3350, Bis-Tris, magnesium dichloride
|
Resolution 1.71 Å R-free 0.196 |
| 9KZ4 Dihydrofolate reductase binding to NADPH and trimethoprim-tetramethylrhodamine Deposited 2024-12-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–159（158 aa）
|
Not recorded | NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 A1EHX [9-[5-[2-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-phenoxy]ethylcarbamoyl]-2-carboxy-phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium × 1 MG MAGNESIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；300 K；PEG 3350, Bis-Tris, magnesium dichloride
|
Resolution 1.71 Å R-free 0.196 |
| 9NJO Y100F Mutant of E. coli Dihydrofolate Reductase Deposited 2025-02-27 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Mutation：Y100F | MN MANGANESE (II) ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；PEG 6000, Manganese chloride, imidazole
|
Resolution 1.80 Å R-free 0.250 |
| 9PWK P21A Mutant of E. coli Dihydrofolate Reductase Complexed with Folate and Nicotinamide Adenine Dinucleotide Phosphate (oxidized form) Deposited 2025-08-04 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Mutation：P21A | FOL FOLIC ACID × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；PEG 6000, Calcium chloride, Tris
|
Resolution 1.51 Å R-free 0.220 |
| 9PWM Dihydrofolate Reductase Complexed with Folate and Nicotinamide Adenine Dinucleotide Phosphate (Oxidized Form) Deposited 2025-08-04 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 FOL FOLIC ACID × 1 MN MANGANESE (II) ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；PEG 6000, Manganese Chloride, imidazole
|
Resolution 0.89 Å R-free 0.156 |
| 9PXC Y100F Mutant of E. coli Dihydrofolate Reductase Complexed with NADP+ (oxidized form) Deposited 2025-08-05 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–159（159 aa）
|
Mutation：Y100F | NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；PEG 6000, calcium chloride, Tris
|
Resolution 2.37 Å R-free 0.262 |
141 other PDB entries and 152 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | DYR_ECOLI |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 2–160； UniProt 1–159 Author chain B； PDBConstruct 2–160； UniProt 1–159 Author chain C； PDBConstruct 2–160； UniProt 1–159 Author chain D； PDBConstruct 2–160； UniProt 1–159 Author chain E； PDBConstruct 2–160； UniProt 1–159 |
