3v4t

E. cloacae C115D MURA liganded with UNAG

Method: X-RAY DIFFRACTION D_max: 175.8 Å Quality: GOOD

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

UDP-N-acetylglucosamine 1-carboxyvinyltransferase

Enterobacter cloacae

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：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
2	Protein homooligomer Homooligomer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain E； UniProt 1–419 Chain F； UniProt 1–419 Chain G； UniProt 1–419 Chain H； UniProt 1–419	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

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 3V4T	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
1YBG MurA inhibited by a derivative of 5-sulfonoxy-anthranilic acid Deposited 2004-12-20	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 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 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 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 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
3V5V UNLIGANDED E.CLOACAE C115D MURA Deposited 2011-12-16	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 54 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 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 Author chain E； PDBConstruct 1–419； UniProt 1–419 Author chain F； PDBConstruct 1–419； UniProt 1–419 Author chain G； PDBConstruct 1–419； UniProt 1–419 Author chain H； 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

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	3v4t
Deposition date deposition_date	2011-12-15
Structure title title	E. cloacae C115D MURA liganded with UNAG
Keywords keywords	MURA, CLOSE ENZYME STATE, CELL WALL, BIOGENESIS/DEGRADATION, PEPTIDOGLYCAN SYNTHESIS, TRANSFERASE; TRANSFERASE
Experimental Method method	X-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier	54.09 Å
Radius of gyration Rg (electron density) rg_electron	54.07 Å
Forward intensity I(0) i0	1924350000.00
Molecular weight molecular_weight	366900.0 kDa
Excluded volume excluded_volume	459600 Å³
Envelope volume envelope_volume	593120 Å³
Hydration-shell volume shell_volume	89887 Å³
Envelope diameter envelope_diameter	180.3 Å
Shell Rg shell_rg	58.06 Å
Envelope Rg envelope_rg	53.14 Å
Shape Rg shape_rg	54.08 Å
Total Rg total_rg	54.13 Å
Total atoms total_atoms	25720
Residues n_residues	3344
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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

Maximum dimension Dmax dmax	175.8 Å
Rg (real space) rg_real	54.27 Å
Rg uncertainty (real space) rg_real_error	1.38 Å
I(0) (real space) i0_real	1.9240e+09
I(0) uncertainty (real space) i0_real_error	3.7650e+07
Rg (reciprocal space) rg_reciprocal	53.93 Å
I(0) (reciprocal space) i0_reciprocal	1923000000.0000
Solution quality estimate total_estimate	0.8291
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	48.5 Å
Skewness Skewness skewness	0.372
Kurtosis Kurtosis kurtosis	-0.659
Angular range angular_range	— – 0.1450 Å⁻¹
Current regularization parameter α current_alpha	0.0001
Highest regularization parameter α highest_alpha	338900000.0000
Real-space data points n_real_points	30
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.821; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.320

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	UDP-N-acetylglucosamine 1-carboxyvinyltransferase
Molecular weight formula_weight	44841.4 kDa
EC 编号 ec_number	2.5.1.7
Mutation mutation	C115D
Source method src_method	man
Copy count entity_count	8

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H
Atom count atom_count	26190

MDKFRVQGPTRLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDIDTTMKLLTQLGTKVERDGSVWIDASNVNNFSAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGDAIGARPVDLHIFGLEKLGAEIKLEEGYVKASVNGRLKGAHIVMDKVSVGATVTIMSAATLAEGTTIIENAAREPEIVDTANFLVALGAKISGQGTDRITIEGVERLGGGVYRVLPDRIETGTFLVAAAISGGKIVCRNAQPDTLDAVLAKLREAGADIETGEDWISLDMHGKRPKAVTVRTAPHPAFPTDMQAQFTLLNLVAEGTGVITETIFENRFMHVPELIRMGAHAEIESNTVICHGVEKLSGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYERIEDKLRALGANIERVKGE

来源 Source

来源生物 organism	Enterobacter cloacae
NCBI Class编号 ncbi_taxonomy_id	550
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Molecular weight formula_weight	607.4 kDa
Source method src_method	syn
Copy count entity_count	8

Entity 3 Entity 3 non-polymer

Description description	ACETATE ION
Molecular weight formula_weight	59.0 kDa
Source method src_method	syn
Copy count entity_count	20

Entity 4 Entity 4 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	44

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	470

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7. Fold Classification (SCOP + CATH) 24 domains

SCOP 2.08 (8 domains)

Domain ID domain_id	d3v4ta_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.68 — IF3-like
Superfamily Superfamily superfamily	d.68.2 — EPT/RTPC-like
Family Family family	d.68.2.2 — Enolpyruvate transferase, EPT

Domain ID domain_id	d3v4tb_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.68 — IF3-like
Superfamily Superfamily superfamily	d.68.2 — EPT/RTPC-like
Family Family family	d.68.2.2 — Enolpyruvate transferase, EPT

Domain ID domain_id	d3v4tc_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.68 — IF3-like
Superfamily Superfamily superfamily	d.68.2 — EPT/RTPC-like
Family Family family	d.68.2.2 — Enolpyruvate transferase, EPT

Domain ID domain_id	d3v4td_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.68 — IF3-like
Superfamily Superfamily superfamily	d.68.2 — EPT/RTPC-like
Family Family family	d.68.2.2 — Enolpyruvate transferase, EPT

Domain ID domain_id	d3v4te_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.68 — IF3-like
Superfamily Superfamily superfamily	d.68.2 — EPT/RTPC-like
Family Family family	d.68.2.2 — Enolpyruvate transferase, EPT

Domain ID domain_id	d3v4tf_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.68 — IF3-like
Superfamily Superfamily superfamily	d.68.2 — EPT/RTPC-like
Family Family family	d.68.2.2 — Enolpyruvate transferase, EPT

Domain ID domain_id	d3v4tg_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.68 — IF3-like
Superfamily Superfamily superfamily	d.68.2 — EPT/RTPC-like
Family Family family	d.68.2.2 — Enolpyruvate transferase, EPT

Domain ID domain_id	d3v4th_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.68 — IF3-like
Superfamily Superfamily superfamily	d.68.2 — EPT/RTPC-like
Family Family family	d.68.2.2 — Enolpyruvate transferase, EPT

CATH v4.4 (16 domains)

Domain ID domain_id	3v4tA01
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tA02
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tB01
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tB02
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tC01
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tC02
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tD01
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tD02
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tE01
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tE02
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tF01
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tF02
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tG01
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tG02
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tH01
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

Domain ID domain_id	3v4tH02
Class class	3 — Alpha Beta
Architecture architecture	65 — Alpha-beta prism
Topology topology	10 — UDP-n-acetylglucosamine1-carboxyvinyl-transferase; Chain
Homologous superfamily homologous superfamily	10 — Enolpyruvate transferase domain

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8. Citations (1)

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Unit-cell length a length_a	83.050 Å
Unit-cell length b length_b	153.140 Å
Unit-cell length c length_c	131.680 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	102.36 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	16

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	2.500 Å
Low-resolution limit resolution_low	19.770 Å
R factor r_factor	0.2080
R_work r_work	0.2080
R_free r_free	0.2710

fit	/app/data/saxs_computation/v4/3v4t/3v4t.fit
pddf	/app/data/pr_computation/v4/3v4t/3v4t.pr.out
profile	/app/data/saxs_computation/v4/3v4t/3v4t.dat