Dihydrofolate reductase
Escherichia coli K12
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 | 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 |
| 2 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain B； UniProt 1–159 | 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 |
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 4X5G | 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 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 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 |
| 4X5H ecDHFR complexed with folate and NADP+ at 500 MPa Deposited 2014-12-05 | 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 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 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 |
| 5UIO structure of DHFR with bound DAP, p-ABG 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 | 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 |
| 5UIO structure of DHFR with bound DAP, p-ABG and NADP Deposited 2017-01-14 | 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 | 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 |
| 5UIO structure of DHFR with bound DAP, p-ABG and NADP Deposited 2017-01-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–159（159 aa）
|
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 |
| 5UIO structure of DHFR with bound DAP, p-ABG and NADP Deposited 2017-01-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1–159（159 aa）
|
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 |
| 5UIO structure of DHFR with bound DAP, p-ABG and NADP Deposited 2017-01-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1–159（159 aa）
|
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 |
| 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 155 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 4–162； UniProt 1–159 Author chain B； PDBConstruct 4–162； UniProt 1–159 |
