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1ybg

MurA inhibited by a derivative of 5-sulfonoxy-anthranilic acid

Method: X-RAY DIFFRACTION Dmax: 103.9 Å Quality: REASONABLE
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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 homooligomer Homooligomer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain A； UniProt 1–419 Chain B； UniProt 1–419 Chain C； UniProt 1–419 Chain D； UniProt 1–419 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

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 1YBG 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 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 construct Different mutation/modification 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 construct Different mutation/modification Different oligomeric state 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 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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
3KQA MurA dead-end complex with terreic acid Deposited 2009-11-17 Different construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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
3UPK E. cloacae MURA in complex with UNAG Deposited 2011-11-18 Different construct Different mutation/modification Different oligomeric state 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) 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
3V4T E. cloacae C115D MURA liganded with UNAG Deposited 2011-12-15 Different mutation/modification 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 mutation/modification 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 mutation/modification 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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_ENTCL
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–419； UniProt 1–419 Author chain B； PDBConstruct 1–419； UniProt 1–419 Author chain C； PDBConstruct 1–419； UniProt 1–419 Author chain D； 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 1ybg

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1ybg
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1ybg
Deposition date deposition_date2004-12-20
Structure title titleMurA inhibited by a derivative of 5-sulfonoxy-anthranilic acid
Keywords keywordsinside-out alpha-beta barrel, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex; TRANSFERASE/TRANSFERASE INHIBITOR
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier35.48 Å
Radius of gyration Rg (electron density) rg_electron34.30 Å
Forward intensity I(0) i0499094000.00
Molecular weight molecular_weight181740.0 kDa
Excluded volume excluded_volume228180 ų
Envelope volume envelope_volume278870 ų
Hydration-shell volume shell_volume64276 ų
Envelope diameter envelope_diameter103.8 Å
Shell Rg shell_rg43.61 Å
Envelope Rg envelope_rg33.57 Å
Shape Rg shape_rg34.31 Å
Total Rg total_rg34.88 Å
Total atoms total_atoms12756
Residues n_residues1672
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
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax103.9 Å
Rg (real space) rg_real35.17 Å
Rg uncertainty (real space) rg_real_error0.39 Å
I(0) (real space) i0_real4.9910e+08
I(0) uncertainty (real space) i0_real_error7.4440e+06
Rg (reciprocal space) rg_reciprocal35.36 Å
I(0) (reciprocal space) i0_reciprocal499200000.0000
Solution quality estimate total_estimate0.6862
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary48.5 Å
Skewness Skewness skewness-0.036
Kurtosis Kurtosis kurtosis-0.583
Angular range angular_range— – 0.2250 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha321700000.0000
Real-space data points n_real_points46
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 0.062; Positv: 1.000; Valcen: 0.960; Smooth: 0.971
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd1ybga_
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
Domain ID domain_idd1ybgb_
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
Domain ID domain_idd1ybgc_
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
Domain ID domain_idd1ybgd_
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 (8 domains)

Domain ID domain_id1ybgA01
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_id1ybgA02
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_id1ybgB01
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_id1ybgB02
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_id1ybgC01
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_id1ybgC02
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_id1ybgD01
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_id1ybgD02
Class class3 — Alpha Beta
Architecture architecture65 — Alpha-beta prism
Topology topology10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily10 — Enolpyruvate transferase domain
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8. Citations (1)

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9. Files and Curves (10)