← Back to search
3upk

E. cloacae MURA in complex with UNAG

Method: X-RAY DIFFRACTION Dmax: 72.6 Å Quality: GOOD
▼

1. Protein Identity and Related Structures Protein Identity & Related Structures

UDP-N-acetylglucosamine 1-carboxyvinyltransferase

Enterobacter cloacae

UniProt P33038

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 1–419 Non-standard monomer：Yes (specific site not provided by mmCIF) PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 6 UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 MG/ML MURA, 5 mM UNAG, 25 MM HEPES PH 7.5, 50 MM BIS-TRIS PH 5.5, 12.5 % PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K Resolution 2.00 Å R-free 0.197

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 3UPK Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1DLG CRYSTAL STRUCTURE OF THE C115S ENTEROBACTER CLOACAE MURA IN THE UN-LIGANDED STATE Deposited 1999-12-09 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 1–419（419 aa）
Mutation：C115S Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 3 HAI CYCLOHEXYLAMMONIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；0.4-0.8 M sodium/potassium phosphate including 20-40 mM cyclohexylammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 19K, temperature 292K
Resolution 1.90 Å R-free 0.197
1DLG CRYSTAL STRUCTURE OF THE C115S ENTEROBACTER CLOACAE MURA IN THE UN-LIGANDED STATE Deposited 1999-12-09 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 1–419（419 aa）
Mutation：C115S Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 6 HAI CYCLOHEXYLAMMONIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；0.4-0.8 M sodium/potassium phosphate including 20-40 mM cyclohexylammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 19K, temperature 292K
Resolution 1.90 Å R-free 0.197
1DLG CRYSTAL STRUCTURE OF THE C115S ENTEROBACTER CLOACAE MURA IN THE UN-LIGANDED STATE Deposited 1999-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–419（419 aa）
Chain B 1–419（419 aa）
Mutation：C115S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C115S Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 18 HAI CYCLOHEXYLAMMONIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；0.4-0.8 M sodium/potassium phosphate including 20-40 mM cyclohexylammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 19K, temperature 292K
Resolution 1.90 Å R-free 0.197
1EJC Crystal structure of unliganded mura (type2) Deposited 2000-03-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；10 % PEG 20000, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.80 Å R-free 0.192
1EJD Crystal structure of unliganded mura (type1) Deposited 2000-03-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 7 HAI CYCLOHEXYLAMMONIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；1 M sodium/potassium phosphate including 30 mM cyclohexylammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.55 Å R-free 0.207
1EJD Crystal structure of unliganded mura (type1) Deposited 2000-03-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 8 HAI CYCLOHEXYLAMMONIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；1 M sodium/potassium phosphate including 30 mM cyclohexylammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.55 Å R-free 0.207
1EJD Crystal structure of unliganded mura (type1) Deposited 2000-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–419（419 aa）
Chain B 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 30 HAI CYCLOHEXYLAMMONIUM ION × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；1 M sodium/potassium phosphate including 30 mM cyclohexylammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.55 Å R-free 0.207
1EJD Crystal structure of unliganded mura (type1) Deposited 2000-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–419（419 aa）
Chain B 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 15 HAI CYCLOHEXYLAMMONIUM ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；1 M sodium/potassium phosphate including 30 mM cyclohexylammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.55 Å R-free 0.207
1EJD Crystal structure of unliganded mura (type1) Deposited 2000-03-02 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 16 HAI CYCLOHEXYLAMMONIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；1 M sodium/potassium phosphate including 30 mM cyclohexylammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.55 Å R-free 0.207
1EYN Structure of mura liganded with the extrinsic fluorescence probe ANS Deposited 2000-05-07 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 1–419（419 aa）
Mutation：N67D Non-standard monomer：Yes (specific site not provided by mmCIF) 2AN 8-ANILINO-1-NAPHTHALENE SULFONATE × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；MES/PEG20000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.70 Å R-free 0.210
1NAW ENOLPYRUVYL TRANSFERASE Deposited 1996-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–419（419 aa）
Chain B 1–419（419 aa）
Not recorded HAI CYCLOHEXYLAMMONIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；CRYSTALS WERE GROWN BY THE HANGING DROP VAPOR DIFFUSION METHOD USING PLASTIC TISSUE CULTURE PLATES. 0.4 M SODIUM/POTASSIUM PHOSPHATE BUFFER (PH 6.4) CONTAINING 40 MM CYCLOHEXYLAMMONIUM PHOSPHATE WERE EQUILIBRATED AGAINST 1 ML 0.8 M SODIUM/POTASSIUM PHOSPHATE BUFFER (PH 6.4). CRYSTALLIZATION USUALLY OCCURRED WITHIN 3 DAYS AND THE CRYSTALS REACHED THEIR MAXIMUM SIZE OF 0.5 X 0.5 X 0.1 MM==3== AFTER 5 DAYS AT ROOM TEMPERATURE. (SEE REFERENCE 1 FOR DETAILS.), vapor diffusion - hanging drop
Resolution 2.00 Å R-free 0.270
1NAW ENOLPYRUVYL TRANSFERASE Deposited 1996-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–419（419 aa）
Chain B 1–419（419 aa）
Not recorded HAI CYCLOHEXYLAMMONIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；CRYSTALS WERE GROWN BY THE HANGING DROP VAPOR DIFFUSION METHOD USING PLASTIC TISSUE CULTURE PLATES. 0.4 M SODIUM/POTASSIUM PHOSPHATE BUFFER (PH 6.4) CONTAINING 40 MM CYCLOHEXYLAMMONIUM PHOSPHATE WERE EQUILIBRATED AGAINST 1 ML 0.8 M SODIUM/POTASSIUM PHOSPHATE BUFFER (PH 6.4). CRYSTALLIZATION USUALLY OCCURRED WITHIN 3 DAYS AND THE CRYSTALS REACHED THEIR MAXIMUM SIZE OF 0.5 X 0.5 X 0.1 MM==3== AFTER 5 DAYS AT ROOM TEMPERATURE. (SEE REFERENCE 1 FOR DETAILS.), vapor diffusion - hanging drop
Resolution 2.00 Å R-free 0.270
1Q3G MurA (Asp305Ala) liganded with tetrahedral reaction intermediate Deposited 2003-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–419（419 aa）
Chain B 1–419（419 aa）
Chain C 1–419（419 aa）
Chain D 1–419（419 aa）
Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) UDA 3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 4 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；290 K；PEG 20,000, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.65 Å R-free 0.253
1Q3G MurA (Asp305Ala) liganded with tetrahedral reaction intermediate Deposited 2003-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 1–419（419 aa）
Chain F 1–419（419 aa）
Chain G 1–419（419 aa）
Chain H 1–419（419 aa）
Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) UDA 3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 4 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；290 K；PEG 20,000, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.65 Å R-free 0.253
1Q3G MurA (Asp305Ala) liganded with tetrahedral reaction intermediate Deposited 2003-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain I 1–419（419 aa）
Chain J 1–419（419 aa）
Chain K 1–419（419 aa）
Chain L 1–419（419 aa）
Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) UDA 3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 4 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；290 K；PEG 20,000, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.65 Å R-free 0.253
1Q3G MurA (Asp305Ala) liganded with tetrahedral reaction intermediate Deposited 2003-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain W 1–419（419 aa）
Chain X 1–419（419 aa）
Chain Y 1–419（419 aa）
Chain Z 1–419（419 aa）
Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,D305A Non-standard monomer：Yes (specific site not provided by mmCIF) UDA 3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 4 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；290 K；PEG 20,000, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.65 Å R-free 0.253
1RYW C115S MurA liganded with reaction products Deposited 2003-12-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–419（419 aa）
Chain B 1–419（419 aa）
Chain C 1–419（419 aa）
Chain D 1–419（419 aa）
Mutation：N67D,C115S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,C115S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,C115S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,C115S Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 4 EPU URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID × 4 GOL GLYCEROL × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；PEG 20,000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.30 Å R-free 0.225
1RYW C115S MurA liganded with reaction products Deposited 2003-12-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 1–419（419 aa）
Chain F 1–419（419 aa）
Chain G 1–419（419 aa）
Chain H 1–419（419 aa）
Mutation：N67D,C115S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,C115S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,C115S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D,C115S Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 5 EPU URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID × 4 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；PEG 20,000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.30 Å R-free 0.225
1YBG MurA inhibited by a derivative of 5-sulfonoxy-anthranilic acid Deposited 2004-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–419（419 aa）
Chain B 1–419（419 aa）
Chain C 1–419（419 aa）
Chain D 1–419（419 aa）
Mutation：N67D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D Non-standard monomer：Yes (specific site not provided by mmCIF) TAV N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]-5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}-L-ASPARTIC ACID × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；292 K；peg 8,000, peg 1,000, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.60 Å R-free 0.253
3KQA MurA dead-end complex with terreic acid Deposited 2009-11-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TR9 (5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；100 mM CaCl2, 100 mM HEPES, pH 7.5, 30% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.25 Å R-free 0.254
3KQA MurA dead-end complex with terreic acid Deposited 2009-11-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TR9 (5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione × 1 CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；100 mM CaCl2, 100 mM HEPES, pH 7.5, 30% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.25 Å R-free 0.254
3KQA MurA dead-end complex with terreic acid Deposited 2009-11-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TR9 (5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；100 mM CaCl2, 100 mM HEPES, pH 7.5, 30% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.25 Å R-free 0.254
3KQA MurA dead-end complex with terreic acid Deposited 2009-11-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TR9 (5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；100 mM CaCl2, 100 mM HEPES, pH 7.5, 30% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.25 Å R-free 0.254
3LTH E. cloacae MurA dead-end complex with UNAG and fosfomycin Deposited 2010-02-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FFQ [(1R)-1-hydroxypropyl]phosphonic acid × 1 UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；292 K；12.5 mM MES/NaOH (pH 6.2), 25 mM Na/K phosphate buffer, 6% (w/v) polyethylene glycol 20000, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.75 Å R-free 0.205
3SPB Unliganded E. Cloacae MurA Deposited 2011-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–419（419 aa）
Chain B 1–419（419 aa）
Chain C 1–419（419 aa）
Chain D 1–419（419 aa）
Mutation：N67D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N67D Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；20 mg/mL MurA, 25 mM Na/K phosphate pH 6.8, 50 mM Bis-Tris pH 5.5, 12.5 % PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.250
3SU9 E. Cloacae MURA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115 Deposited 2011-07-11 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 1–419（419 aa）
Mutation：N67D Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 6 ACT ACETATE ION × 1 EPZ (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 25 mM HEPES, 100 mM Ammonium Acetate, 50 mM Bis-Tris, 12.5 % PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.210
3SWA E. Cloacae MurA R120A complex with UNAG and covalent adduct of PEP with CYS115 Deposited 2011-07-13 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 1–419（419 aa）
Mutation：N67D, R120A Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 5 UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；60 mg/mL MurA, 5 mM UNAG, 5 mM PEP, 25 mM TRIS, 50 mM HEPES, 7 % 2-propanol, 10 % PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.90 Å R-free 0.201
3SWA E. Cloacae MurA R120A complex with UNAG and covalent adduct of PEP with CYS115 Deposited 2011-07-13 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 1–419（419 aa）
Mutation：N67D, R120A Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 6 UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；60 mg/mL MurA, 5 mM UNAG, 5 mM PEP, 25 mM TRIS, 50 mM HEPES, 7 % 2-propanol, 10 % PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.90 Å R-free 0.201
3SWI E. Cloacae MurA in complex with Enolpyruvyl-UDP-N-acetylgalactosamine and covalent adduct of PEP with CYS115 Deposited 2011-07-13 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 1–419（419 aa）
Mutation：N67D Non-standard monomer：Yes (specific site not provided by mmCIF) MOE METHOXY-ETHOXYL × 2 PG0 2-(2-METHOXYETHOXY)ETHANOL × 3 MG MAGNESIUM ION × 1 UD2 URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE × 1 UPN 2-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP-N-ACETYLGALACTOSAMINE, 2.5 mM PEP, 75 mM HEPES, 25 mM Magnesium Chloride, 15% PEG 550 MME, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.80 Å R-free 0.263
3SWQ E. Cloacae MurA in complex with Enolpyruvyl-UNAG Deposited 2011-07-14 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 1–419（419 aa）
Mutation：N67D Non-standard monomer：Yes (specific site not provided by mmCIF) PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 17 ACT ACETATE ION × 1 EPU URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；291 K；20 mg/mL MurA, 5 mM UNAG, 25 mM HEPES, 100 mM Ammonium Acetate, 50 mM Bis-Tris, 12.5% PEG 3,350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.83 Å R-free 0.204
3V4T E. cloacae C115D MURA liganded with UNAG Deposited 2011-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–419（419 aa）
Chain B 1–419（419 aa）
Chain C 1–419（419 aa）
Chain D 1–419（419 aa）
Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 4 ACT ACETATE ION × 9 EDO 1,2-ETHANEDIOL × 18 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；291 K；20 MG/ML MURA C115D, 2.5 MM UNAG, 25 MM HEPES PH 7.5, 50 MM BIS-TRIS PH 5.5, 100 MM AMMONIUM ACETATE, 12.5 % PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.271
3V4T E. cloacae C115D MURA liganded with UNAG Deposited 2011-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 1–419（419 aa）
Chain F 1–419（419 aa）
Chain G 1–419（419 aa）
Chain H 1–419（419 aa）
Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 4 ACT ACETATE ION × 11 EDO 1,2-ETHANEDIOL × 26 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；291 K；20 MG/ML MURA C115D, 2.5 MM UNAG, 25 MM HEPES PH 7.5, 50 MM BIS-TRIS PH 5.5, 100 MM AMMONIUM ACETATE, 12.5 % PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.271
3V5V UNLIGANDED E.CLOACAE C115D MURA Deposited 2011-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–419（419 aa）
Chain B 1–419（419 aa）
Chain C 1–419（419 aa）
Chain D 1–419（419 aa）
Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) PEG DI(HYDROXYETHYL)ETHER × 4 EDO 1,2-ETHANEDIOL × 33 ACT ACETATE ION × 2 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；291 K；20 MG/ML MURA C115D, 25 MM HEPES PH 7.5, 50 MM BIS-TRIS PH 5.5, 100 MM AMMONIUM ACETATE, 12.5 % PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.70 Å R-free 0.264
4E7B E. cloacae MurA in complex with UDP-glucose Deposited 2012-03-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 11 ACT ACETATE ION × 1 UPG URIDINE-5'-DIPHOSPHATE-GLUCOSE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP-glucose, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.226
4E7B E. cloacae MurA in complex with UDP-glucose Deposited 2012-03-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 15 UPG URIDINE-5'-DIPHOSPHATE-GLUCOSE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP-glucose, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.226
4E7B E. cloacae MurA in complex with UDP-glucose Deposited 2012-03-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 12 ACT ACETATE ION × 1 UPG URIDINE-5'-DIPHOSPHATE-GLUCOSE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP-glucose, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.226
4E7B E. cloacae MurA in complex with UDP-glucose Deposited 2012-03-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 4 UPG URIDINE-5'-DIPHOSPHATE-GLUCOSE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP-glucose, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.226
4E7C E. cloacae MurA in complex with UTP Deposited 2012-03-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 3 ACT ACETATE ION × 2 UTP URIDINE 5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UTP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.10 Å R-free 0.250
4E7C E. cloacae MurA in complex with UTP Deposited 2012-03-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 UTP URIDINE 5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UTP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.10 Å R-free 0.250
4E7C E. cloacae MurA in complex with UTP Deposited 2012-03-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 5 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UTP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.10 Å R-free 0.250
4E7C E. cloacae MurA in complex with UTP Deposited 2012-03-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 3 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UTP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.10 Å R-free 0.250
4E7D E. cloacae MurA in complex with UDP Deposited 2012-03-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 4 UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.260
4E7D E. cloacae MurA in complex with UDP Deposited 2012-03-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.260
4E7D E. cloacae MurA in complex with UDP Deposited 2012-03-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 4 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.260
4E7D E. cloacae MurA in complex with UDP Deposited 2012-03-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–419（419 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 4 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.260
4E7E E. cloacae C115D MurA in complex with UDP-glucose Deposited 2012-03-16 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 1–419（419 aa）
Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 UPG URIDINE-5'-DIPHOSPHATE-GLUCOSE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP-glucose, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.246
4E7E E. cloacae C115D MurA in complex with UDP-glucose Deposited 2012-03-16 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 1–419（419 aa）
Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP-glucose, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.246
4E7E E. cloacae C115D MurA in complex with UDP-glucose Deposited 2012-03-16 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–419（419 aa）
Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP-glucose, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.246
4E7E E. cloacae C115D MurA in complex with UDP-glucose Deposited 2012-03-16 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–419（419 aa）
Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 6 ACT ACETATE ION × 1 UPG URIDINE-5'-DIPHOSPHATE-GLUCOSE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP-glucose, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.246
4E7F E. cloacae C115D MurA in complex with UDP Deposited 2012-03-16 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 1–419（419 aa）
Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 4 UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.15 Å R-free 0.234
4E7F E. cloacae C115D MurA in complex with UDP Deposited 2012-03-16 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 1–419（419 aa）
Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.15 Å R-free 0.234
4E7F E. cloacae C115D MurA in complex with UDP Deposited 2012-03-16 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–419（419 aa）
Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 6 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.15 Å R-free 0.234
4E7F E. cloacae C115D MurA in complex with UDP Deposited 2012-03-16 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–419（419 aa）
Mutation：C115D Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 5 mM UDP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.15 Å R-free 0.234
4E7G E. cloacae C115D/R120A MurA in the unliganded state Deposited 2012-03-16 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 1–419（419 aa）
Mutation：C115D, R120A Non-standard monomer：Yes (specific site not provided by mmCIF) PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 12 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20 mg/mL MurA, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.60 Å R-free 0.206
4EII Unliganded E. cloacae R91K MurA Deposited 2012-04-05 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 1–419（419 aa）
Mutation：R91K Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 7 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；37.5 mg/mL MurA, 5 mM UNAG, 25 mM HEPES, pH 7.5, 50 mM MES, pH 6.1, 6.25% PEG20000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.95 Å R-free 0.233

24 other PDB entries and 55 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MURA_ENTCC
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–419； UniProt 1–419

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 3upk

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3upk
Download Download
▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id3upk
Deposition date deposition_date2011-11-18
Structure title titleE. cloacae MURA in complex with UNAG
Keywords keywordsMURA, CLOSE ENZYME STATE, CELL WALL, BIOGENESIS/DEGRADATION, PEPTIDOGLYCAN SYNTHESIS, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
▼

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier22.50 Å
Radius of gyration Rg (electron density) rg_electron21.39 Å
Forward intensity I(0) i035560900.00
Molecular weight molecular_weight45902.0 kDa
Excluded volume excluded_volume57534 ų
Envelope volume envelope_volume65033 ų
Hydration-shell volume shell_volume25066 ų
Envelope diameter envelope_diameter74.0 Å
Shell Rg shell_rg28.45 Å
Envelope Rg envelope_rg21.56 Å
Shape Rg shape_rg21.40 Å
Total Rg total_rg22.19 Å
Total atoms total_atoms3216
Residues n_residues418
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
▼

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax72.6 Å
Rg (real space) rg_real22.44 Å
Rg uncertainty (real space) rg_real_error0.36 Å
I(0) (real space) i0_real3.5560e+07
I(0) uncertainty (real space) i0_real_error4.7450e+05
Rg (reciprocal space) rg_reciprocal22.45 Å
I(0) (reciprocal space) i0_reciprocal35560000.0000
Solution quality estimate total_estimate0.8859
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary27.5 Å
Skewness Skewness skewness0.304
Kurtosis Kurtosis kurtosis-0.357
Angular range angular_range— – 0.3550 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha17190000.0000
Real-space data points n_real_points67
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.845; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.978
▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (5)

▼

7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd3upka_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.68 — IF3-like
Superfamily Superfamily superfamilyd.68.2 — EPT/RTPC-like
Family Family familyd.68.2.2 — Enolpyruvate transferase, EPT

CATH v4.4 (2 domains)

Domain ID domain_id3upkA01
Class class3 — Alpha Beta
Architecture architecture65 — Alpha-beta prism
Topology topology10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily10 — Enolpyruvate transferase domain
Domain ID domain_id3upkA02
Class class3 — Alpha Beta
Architecture architecture65 — Alpha-beta prism
Topology topology10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily10 — Enolpyruvate transferase domain
▶

8. Citations (1)

▶

9. Files and Curves (10)