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5g0v

InhA in complex with a DNA encoded library hit

Method: X-RAY DIFFRACTION Dmax: 91.8 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

ENOYL-ACYL CARRIER PROTEIN REDUCTASE

MYCOBACTERIUM TUBERCULOSIS

UniProt P9WGR1

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 1–269 Chain B； UniProt 1–269 Chain C； UniProt 1–269 Chain D； UniProt 1–269 Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 MG MAGNESIUM ION × 1 JDD N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide × 1 X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.2；pH 7.2 Resolution 1.79 Å R-free 0.188

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 5G0V Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
4BGE Crystal structure of InhA(S94A) mutant in complex with pyridomycin Deposited 2013-03-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Chain E 1–269（269 aa）
Chain F 1–269（269 aa）
Mutation：S94A Mutation：S94A Mutation：S94A Mutation：S94A PYW Pyridomycin × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.25 Å R-free 0.278
4BGE Crystal structure of InhA(S94A) mutant in complex with pyridomycin Deposited 2013-03-26 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 1–269（269 aa）
Chain B 1–269（269 aa）
Mutation：S94A Mutation：S94A PYW Pyridomycin × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.25 Å R-free 0.278
4BGE Crystal structure of InhA(S94A) mutant in complex with pyridomycin Deposited 2013-03-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Chain E 1–269（269 aa）
Chain F 1–269（269 aa）
Mutation：S94A Mutation：S94A Mutation：S94A Mutation：S94A PYW Pyridomycin × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.25 Å R-free 0.278
4BGI Crystal structure of InhA(S94A) mutant in complex with OH-141 Deposited 2013-03-27 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 C 2–269（268 aa）
Chain D 2–269（268 aa）
Chain E 2–269（268 aa）
Chain F 2–269（268 aa）
Mutation：S94A Mutation：S94A Mutation：S94A Mutation：S94A I4I 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.09 Å R-free 0.238
4BGI Crystal structure of InhA(S94A) mutant in complex with OH-141 Deposited 2013-03-27 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 2–269（268 aa）
Chain B 2–269（268 aa）
Mutation：S94A Mutation：S94A I4I 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.09 Å R-free 0.238
4BGI Crystal structure of InhA(S94A) mutant in complex with OH-141 Deposited 2013-03-27 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 C 2–269（268 aa）
Chain D 2–269（268 aa）
Chain E 2–269（268 aa）
Chain F 2–269（268 aa）
Mutation：S94A Mutation：S94A Mutation：S94A Mutation：S94A I4I 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.09 Å R-free 0.238
4QXM Crystal structure of the InhA:GSK_SB713 complex Deposited 2014-07-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain C 1–269（269 aa）
Chain E 1–269（269 aa）
Chain G 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 713 N-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；291 K；0.1 M N-(2-acetamido)iminodiacetic acid, pH 6.8, 6% v/v DMSO, 16% w/v PEG3350, 0.18 M ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.222
4TZK Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed WITH 1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE Deposited 2014-07-10 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 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 641 (3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；8% MPD, 50mM NA citrate pH6.5, 100 mM HEPES pH7.5
Resolution 1.62 Å R-free 0.151
4TZT CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ENOYL REDUCTASE (INHA) COMPLEXED WITH N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE Deposited 2014-07-10 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 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 468 (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；10% MPD, 50mM Na Citrate pH 6.5, 100 mM Hepes pH 7.2
Resolution 1.86 Å R-free 0.168
4U0J Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with 1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE, refined with new ligand restraints Deposited 2014-07-11 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 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 566 (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；10% MPD, 50mM Na Citrate pH 6.5, Hepes pH 7.0
Resolution 1.62 Å R-free 0.166
4U0K Crystal structure of Mycobacterium tuberculosis enoyl reductase complexed with N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide Deposited 2014-07-11 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 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 744 (3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；6% MPD, 50 mM Na Citrate pH 6.5, 100mM Hepes pH 8.0
Resolution 1.90 Å R-free 0.173
5G0S InhA in complex with a DNA encoded library hit Deposited 2016-03-22 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 EEH N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.2；pH 7.2
Resolution 1.74 Å R-free 0.186
5G0T InhA in complex with a DNA encoded library hit Deposited 2016-03-22 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 S72 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.2；pH 7.2
Resolution 1.54 Å R-free 0.182
5G0U InhA in complex with a DNA encoded library hit Deposited 2016-03-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 9CV 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.2；PH 7.2
Resolution 1.73 Å R-free 0.217
5JFO Structure of the M.tuberculosis enoyl-reductase InhA in complex with GSK625 Deposited 2016-04-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 6KA N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.1 M Sodium malonate, 0.1 M Hepes pH 7.0, 0.5% (v/v) Jeffamine ED-2001 pH 7.0
Resolution 2.91 Å R-free 0.231
5MTQ Crystal structure of M. tuberculosis InhA inhibited by PT511 Deposited 2017-01-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain E 1–269（269 aa）
Chain G 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 XT3 2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.6 M sodium acetate, pH 7.0
Resolution 2.60 Å R-free 0.213
5MTQ Crystal structure of M. tuberculosis InhA inhibited by PT511 Deposited 2017-01-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Chain F 1–269（269 aa）
Chain H 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 XT3 2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.6 M sodium acetate, pH 7.0
Resolution 2.60 Å R-free 0.213
5MTR Crystal structure of M. tuberculosis InhA inhibited by PT512 Deposited 2017-01-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain E 1–269（269 aa）
Chain G 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 XT0 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.6 M sodium acetate, pH 7.0
Resolution 2.00 Å R-free 0.234
5MTR Crystal structure of M. tuberculosis InhA inhibited by PT512 Deposited 2017-01-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Chain F 1–269（269 aa）
Chain H 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 XT0 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.6 M sodium acetate, pH 7.0
Resolution 2.00 Å R-free 0.234
5OIC InhA (T2A mutant) complexed with (4-((1H-pyrazol-1-yl)methyl)phenyl)methanol Deposited 2017-07-18 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 3–269（267 aa）
Mutation：T2A NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 9VQ [4-(pyrazol-1-ylmethyl)phenyl]methanol × 4 ETX 2-ETHOXYETHANOL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；35-42% Ethoxyethanol and 0.1M Mes pH 6.5 - 6.8. 5% glycerol used as cryoprotectant. Crystals were soaked to obtain ligand complex.
Resolution 1.87 Å R-free 0.182
5OIF InhA (T2A mutant) complexed with 1-benzyl-3-methyl-1H-pyrazol-5-amine Deposited 2017-07-18 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 1–269（269 aa）
Chain B 1–269（269 aa）
Mutation：T2A Mutation：T2A NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 9W5 5-methyl-2-(phenylmethyl)pyrazol-3-amine × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；2.17% MPD, 0.3M Mg(NO3)2, 0.1M Tris pH8 and 20% PEG2K Cryo - well soln
Resolution 2.03 Å R-free 0.222
5OIL InhA (T2A mutant) complexed with 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea Deposited 2017-07-19 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 1–269（269 aa）
Mutation：T2A NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 9VW 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea × 4 ETX 2-ETHOXYETHANOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；35-42% Ethoxyethanol and 0.1M Mes pH 6.5-6.8. 5% glycerol used as cryoprotectant. Crystals were soaked to obtain ligand complex.
Resolution 2.76 Å R-free 0.230
5OIM InhA (T2A mutant) complexed with ethyl 2-methyl-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate Deposited 2017-07-19 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 1–269（269 aa）
Mutation：T2A 9VZ ethyl (6~{R})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 ETX 2-ETHOXYETHANOL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；35-42% Ethoxyethanol and 0.1M Mes pH 6.5-6.8. 5% glycerol used as cryoprotectant. Crystals were soaked to obtain ligand complex.
Resolution 1.91 Å R-free 0.180
5OIN InhA (T2A mutant) complexed with N-(1-(pyrimidin-2-yl)piperidin-4-yl)acetamide Deposited 2017-07-19 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 1–269（269 aa）
Chain B 1–269（269 aa）
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Mutation：T2A Mutation：T2A Mutation：T2A Mutation：T2A NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 9W2 ~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；35-42% Ethoxyethanol and 0.1M Mes pH 6.5-6.8. 5% glycerol used as cryoprotectant. Crystals were soaked to obtain ligand complex.
Resolution 2.82 Å R-free 0.186
5OIO InhA (T2A mutant) complexed with 5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-N-ethyl-1,3,4-thiadiazol-2-amine Deposited 2017-07-19 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 3–269（267 aa）
Chain B 3–269（267 aa）
Mutation：T2A Mutation：T2A 9VT 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；35-42% Ethoxyethanol and 0.1M Mes pH 6.5-6.8. 5% glycerol used as cryoprotectant. Crystals were soaked to obtain ligand complex.
Resolution 2.74 Å R-free 0.201
5OIP InhA (T2A mutant) complexed with 1-(Pyridin-3-ylmethyl)-3-(1-(pyrimidin-2-yl)piperidin-4-yl)urea Deposited 2017-07-19 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 3–269（267 aa）
Mutation：T2A NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 9WE 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea × 4 PO4 PHOSPHATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；10% glycerol, 25% 1,2propanediol, 0.1M PO4. Cryo is well solution
Resolution 1.71 Å R-free 0.173
5OIQ InhA (T2A mutant) complexed with 2,6-dimethyl-3-phenylpyridin-4(1H)-one Deposited 2017-07-19 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 3–269（267 aa）
Chain B 3–269（267 aa）
Chain C 3–269（267 aa）
Chain D 3–269（267 aa）
Mutation：T2A Mutation：T2A Mutation：T2A Mutation：T2A 9WB 2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；0.5M NaCl, 0.1M NaH2PO4 pH 6.8, 15% w/v PEG2K. Cryo - well + 20% glycerol
Resolution 2.65 Å R-free 0.227
5OIR InhA (T2A mutant) complexed with 2,6-Dimethyl-3-(1-(pyrimidin-2-yl)piperidin-4-yl)pyridin-4(1H)-one Deposited 2017-07-19 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 3–269（267 aa）
Mutation：T2A NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 9W8 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one × 4 ETX 2-ETHOXYETHANOL × 16 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；35-42% Ethoxyethanol and 0.1M Mes pH 6.5-6.8. 5% glycerol used as cryoprotectant. Crystals were soaked to obtain ligand complex.
Resolution 1.97 Å R-free 0.189
5OIS InhA (T2A mutant) complexed with 4-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(2-chloro-4-fluorobenzyl)benzamide Deposited 2017-07-19 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 B 3–269（267 aa）
Chain D 3–269（267 aa）
Chain F 3–269（267 aa）
Chain H 3–269（267 aa）
Mutation：T2A Mutation：T2A Mutation：T2A Mutation：T2A 9WK 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；10% PEG6K, 0.1M Bicine pH9. Cryo - well + 25% ethylene glycol
Resolution 2.24 Å R-free 0.189
5OIT InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine Deposited 2017-07-19 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain B 1–269（269 aa）
Chain D 1–269（269 aa）
Chain F 1–269（269 aa）
Chain H 1–269（269 aa）
Mutation：T2A Mutation：T2A Mutation：T2A Mutation：T2A 9WH 5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine × 4 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M Ammonium Sulfate, 30% PEG4K. Cryo - well + 30% ethylene glycol
Resolution 2.58 Å R-free 0.199
5UGS Crystal structure of M. tuberculosis InhA inhibited by PT501 Deposited 2017-01-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain E 1–269（269 aa）
Chain G 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 XT5 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol × 5 CL CHLORIDE ION × 6 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1 M Tris/HCl, pH 8.0; 2.5 M NaCl
Resolution 2.80 Å R-free 0.244
5UGS Crystal structure of M. tuberculosis InhA inhibited by PT501 Deposited 2017-01-10 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 C 1–269（269 aa）
Chain D 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 XT5 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol × 4 CL CHLORIDE ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1 M Tris/HCl, pH 8.0; 2.5 M NaCl
Resolution 2.80 Å R-free 0.244
5UGT Crystal structure of M. tuberculosis InhA inhibited by PT504 Deposited 2017-01-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain E 1–269（269 aa）
Chain G 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 XTW 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2 M sodium acetate, pH 7.0
Resolution 2.60 Å R-free 0.239
5UGU Crystal structure of M. tuberculosis InhA inhibited by PT506 Deposited 2017-01-10 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 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 XTV 2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.4 M sodium acetate, pH 7.0
Resolution 1.95 Å R-free 0.212
6EP8 InhA Y158F mutant in complex with NADH from Mycobacterium tuberculosis Deposited 2017-10-11 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 1–269（269 aa）
Mutation：Y158F NA SODIUM ION × 16 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 GOL GLYCEROL × 24 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；287 K；Thrombin cleaved InhA at 10 mg/ml with 3 to 10 mM of NADH was crystallized in a 24-well crystal plate, Combiclover Junior (Jena Bioscience). The best crystals appeared in drops of 2 ul of enzyme solution, 1 ul of the reservoir solution and 1 ul of distilled water. The reservoir solution contained 100 mM HEPES/NaOH pH 7.5, 50 mM sodium citrate pH 6.5, 7-9 % 2-methyl-2,4-pentanediol. Crystals appeared typically within two to three weeks in this condition.
Resolution 1.80 Å R-free 0.175
6GH1 HLA-E*01:03 in complex with Mtb44 Deposited 2018-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain Q 53–61（9 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.5 K；2.4 M Ammonium Sulphate, 0.1 M MES, pH 6
Resolution 2.10 Å R-free 0.229
6GH1 HLA-E*01:03 in complex with Mtb44 Deposited 2018-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain Z 53–61（9 aa）
Not recorded SO4 SULFATE ION × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.5 K；2.4 M Ammonium Sulphate, 0.1 M MES, pH 6
Resolution 2.10 Å R-free 0.229
6GH1 HLA-E*01:03 in complex with Mtb44 Deposited 2018-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain P 53–61（9 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.5 K；2.4 M Ammonium Sulphate, 0.1 M MES, pH 6
Resolution 2.10 Å R-free 0.229
6GH1 HLA-E*01:03 in complex with Mtb44 Deposited 2018-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 53–61（9 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.5 K；2.4 M Ammonium Sulphate, 0.1 M MES, pH 6
Resolution 2.10 Å R-free 0.229
6R9W Crystal structure of InhA in complex with AP-124 inhibitor Deposited 2019-04-04 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 1–269（269 aa）
Chain B 1–269（269 aa）
Not recorded JVZ (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol × 2 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292.15 K；17% w/v PEG 4000, 0.1 M ADA pH 6.8, 6 mM DMSO, 0.1 M ammonium acetate, 1% glycerol, 4.5 mM NAD
Resolution 1.75 Å R-free 0.227
6R9W Crystal structure of InhA in complex with AP-124 inhibitor Deposited 2019-04-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Chain E 1–269（269 aa）
Chain F 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292.15 K；17% w/v PEG 4000, 0.1 M ADA pH 6.8, 6 mM DMSO, 0.1 M ammonium acetate, 1% glycerol, 4.5 mM NAD
Resolution 1.75 Å R-free 0.227
6SQ5 Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid Deposited 2019-09-03 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 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 LRW (~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M HEPES pH 7.0 0.1 M sodium acetate 25-30% PEG 400
Resolution 1.84 Å R-free 0.182
6SQ7 Crystal structure of M. tuberculosis InhA in complex with NAD+ and 2-(4-chloro-3-nitrobenzoyl)benzoic acid Deposited 2019-09-03 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 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 9FN 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M HEPES pH 7.0 0.1 M sodium acetate 25-30% PEG 400
Resolution 1.76 Å R-free 0.164
6SQ9 Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-hydroxynaphthalene-2-carboxylic acid Deposited 2019-09-03 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 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 BZJ 3-hydroxynaphthalene-2-carboxylic acid × 4 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M HEPES pH 7.0 0.1 M sodium acetate 25-30% PEG 400
Resolution 1.75 Å R-free 0.179
6SQB Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-(3-chlorophenyl)propanoic acid Deposited 2019-09-03 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 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 LSQ 3-(3-chlorophenyl)propanoic acid × 4 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M HEPES pH 7.0 0.1 M sodium acetate 25-30% PEG 400
Resolution 1.77 Å R-free 0.174
6SQD Crystal structure of M. tuberculosis InhA in complex with NAD+ and 2-pyrazol-1-ylbenzoic acid Deposited 2019-09-03 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 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 LT8 2-pyrazol-1-ylbenzoic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M HEPES pH 7.0 0.1 M sodium acetate 25-30% PEG 400
Resolution 1.72 Å R-free 0.180
6SQL Crystal structure of M. tuberculosis InhA in complex with NAD+ and N-(3-(aminomethyl)phenyl)-5-chloro-3-methylbenzo[b]thiophene-2-sulfonamide Deposited 2019-09-04 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 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 LTK ~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M HEPES pH 7.0 0.1 M sodium acetate 25-30% PEG 400
Resolution 2.35 Å R-free 0.204
6ZKW Crystal structure of InhA:01 TCR in complex with HLA-E bound to InhA (53-61) Deposited 2020-06-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 53–61（9 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；0.1 M TRIS pH 8.5, 25 % (w/v) PEG 4000, 15 % Glycerol
Resolution 2.26 Å R-free 0.287
6ZKX Crystal structure of InhA:01 TCR in complex with HLA-E (Y84C) bound to InhA (53-61 GCG) Deposited 2020-06-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 53–64（12 aa）
Not recorded EDO 1,2-ETHANEDIOL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；0.1 M Tris pH 8.5, 25% (w/v) PEG 4000, 15% Glycerol
Resolution 2.17 Å R-free 0.244
6ZKY Crystal structure of InhA:01 TCR in complex with HLA-E (S147C) bound to InhA (53-61 H3C) Deposited 2020-06-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 53–61（9 aa）
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, SITTING DROP；pH 6.5；293.15 K；0.1 M Sodium chloride, 0.1 M BIS-TRIS pH 6.5, 1.5 M Ammonium sulfate
Resolution 2.65 Å R-free 0.273
7E48 Crystal structure of InhA in complex with 3-nitropropanoic acid inhibitor Deposited 2021-02-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 3NP 3-NITROPROPANOIC ACID × 4 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 8.5；293 K；Purified protein incubated with NADH and 3NP in 5% (w/v) ethanol, 5% (w/v) MPD, 200mM sodium chloride, 100mM Tris-HCl pH 8.5
Resolution 2.50 Å R-free 0.220
8OTL structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol Deposited 2023-04-21 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 1–269（269 aa）
Chain B 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；285 K；14 % PEG 4000 100 mM ADA 100 mM acetate ammonium, pH 6.8, 5 % DMSO
Resolution 2.11 Å R-free 0.237
8OTL structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol Deposited 2023-04-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Chain E 1–269（269 aa）
Chain F 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 2 VZE 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；285 K；14 % PEG 4000 100 mM ADA 100 mM acetate ammonium, pH 6.8, 5 % DMSO
Resolution 2.11 Å R-free 0.237
8OTM structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide Deposited 2023-04-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 VZI 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide × 4 EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 5 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；285 K；14 % PEG 4000 100 mM ADA 100 mM acetate ammonium, pH 6.8, 5 % DMSO
Resolution 1.60 Å R-free 0.177
8OTN structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one Deposited 2023-04-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Not recorded NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 4 VZR 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；14 % PEG 4000 100 mM ADA 100 mM ammonium acetate 5 % DMSO pH 6.8
Resolution 1.96 Å R-free 0.233
9RJG Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin (compound 1) Deposited 2025-06-12 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 1–269（269 aa）
Chain B 1–269（269 aa）
Not recorded PYW Pyridomycin × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.1；293 K；InhA at 4-8 mg/ml 30% (v/v) PEG 300 0.1 M MES
Resolution 1.71 Å R-free 0.194
9RJG Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin (compound 1) Deposited 2025-06-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Chain E 1–269（269 aa）
Chain F 1–269（269 aa）
Not recorded PYW Pyridomycin × 4 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.1；293 K；InhA at 4-8 mg/ml 30% (v/v) PEG 300 0.1 M MES
Resolution 1.71 Å R-free 0.194
9RJH Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin-derivative KV26a (compound 4) Deposited 2025-06-12 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 1–269（269 aa）
Chain B 1–269（269 aa）
Not recorded A1JGW ~{N}-[(5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-2-oxidanyl-benzamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；Inh4 4-8 mg/ml 30% PEG 550 MME 0.1 M NaCl 0.1 M Bicine
Resolution 1.71 Å R-free 0.198
9RJH Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin-derivative KV26a (compound 4) Deposited 2025-06-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Chain E 1–269（269 aa）
Chain F 1–269（269 aa）
Not recorded A1JGW ~{N}-[(5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-2-oxidanyl-benzamide × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；Inh4 4-8 mg/ml 30% PEG 550 MME 0.1 M NaCl 0.1 M Bicine
Resolution 1.71 Å R-free 0.198
9RJI Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin-derivative KV29a (compound 5) Deposited 2025-06-12 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 1–269（269 aa）
Chain B 1–269（269 aa）
Not recorded A1JG1 ~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-oxidanyl-pyridine-3-carboxamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；30% PEG 550 MME 0.1 M NaCl 0.1 M Bicine
Resolution 1.77 Å R-free 0.235
9RJI Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin-derivative KV29a (compound 5) Deposited 2025-06-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Chain E 1–269（269 aa）
Chain F 1–269（269 aa）
Not recorded A1JG1 ~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-oxidanyl-pyridine-3-carboxamide × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；30% PEG 550 MME 0.1 M NaCl 0.1 M Bicine
Resolution 1.77 Å R-free 0.235
9RJJ Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV37a (compound 9) Deposited 2025-06-12 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 1–269（269 aa）
Chain B 1–269（269 aa）
Not recorded A1JG0 ~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-2,3-bis(oxidanyl)benzamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；30% PEG 550 MME 0.1 M NaCl 0.1 M Bicine
Resolution 2.08 Å R-free 0.218
9RJJ Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV37a (compound 9) Deposited 2025-06-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Chain E 1–269（269 aa）
Chain F 1–269（269 aa）
Not recorded A1JG0 ~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-2,3-bis(oxidanyl)benzamide × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；30% PEG 550 MME 0.1 M NaCl 0.1 M Bicine
Resolution 2.08 Å R-free 0.218
9RJK Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV41a (compound 11) Deposited 2025-06-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Not recorded A1JG3 ~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-fluoranyl-2-oxidanyl-benzamide × 4 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30% (v/v) PEG 300 0.1 M MES
Resolution 1.66 Å R-free 0.205
9RJL Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV35a (compound 12) Deposited 2025-06-12 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 1–269（269 aa）
Chain B 1–269（269 aa）
Not recorded A1JGY ~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-chloranyl-3-oxidanyl-pyridine-2-carboxamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；0.1 M NaCl 0.1 M Bicine 30 % PEGMME 550
Resolution 1.70 Å R-free 0.216
9RJL Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV35a (compound 12) Deposited 2025-06-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Chain E 1–269（269 aa）
Chain F 1–269（269 aa）
Not recorded A1JGY ~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-chloranyl-3-oxidanyl-pyridine-2-carboxamide × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；0.1 M NaCl 0.1 M Bicine 30 % PEGMME 550
Resolution 1.70 Å R-free 0.216
9RJM Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative EP196 (compound 13) Deposited 2025-06-12 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 1–269（269 aa）
Chain B 1–269（269 aa）
Not recorded A1JGX ~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-fluoranyl-3-oxidanyl-pyridine-2-carboxamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.7；293 K；0.1 MES 0.1 MgCl2 30 % PEG 400
Resolution 1.99 Å R-free 0.227
9RJM Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative EP196 (compound 13) Deposited 2025-06-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Chain E 1–269（269 aa）
Chain F 1–269（269 aa）
Not recorded A1JGX ~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-fluoranyl-3-oxidanyl-pyridine-2-carboxamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.7；293 K；0.1 MES 0.1 MgCl2 30 % PEG 400
Resolution 1.99 Å R-free 0.227
9RJN Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV32a (compound 14) Deposited 2025-06-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Not recorded A1JGZ ~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-oxidanyl-pyrazine-2-carboxamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 MES 30% PEG 400
Resolution 2.50 Å R-free 0.250
9RJP Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV25a (compound 15) Deposited 2025-06-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–269（269 aa）
Chain B 1–269（269 aa）
Chain C 1–269（269 aa）
Chain D 1–269（269 aa）
Not recorded A1JG2 ~{N}-[(5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-oxidanyl-1,2,5-thiadiazole-3-carboxamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES 30 % PEG 300
Resolution 2.15 Å R-free 0.232

52 other PDB entries and 70 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name INHA_MYCTU
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–269； UniProt 1–269 Author chain B； PDBConstruct 1–269； UniProt 1–269 Author chain C； PDBConstruct 1–269； UniProt 1–269 Author chain D； PDBConstruct 1–269； UniProt 1–269

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 5g0v

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5g0v
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5g0v
Deposition date deposition_date2016-03-22
Structure title titleInhA in complex with a DNA encoded library hit
Keywords keywordsOXIDOREDUCTASE, INHA, ACP ENOYL REDUCTASE, DNA ENCODED LIBRARY, DEL, TUBERCULOSIS; OXIDOREDUCTASE
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_guinier29.36 Å
Radius of gyration Rg (electron density) rg_electron28.41 Å
Forward intensity I(0) i0190342000.00
Molecular weight molecular_weight109400.0 kDa
Excluded volume excluded_volume136730 ų
Envelope volume envelope_volume159560 ų
Hydration-shell volume shell_volume44720 ų
Envelope diameter envelope_diameter93.7 Å
Shell Rg shell_rg37.39 Å
Envelope Rg envelope_rg28.56 Å
Shape Rg shape_rg28.41 Å
Total Rg total_rg29.17 Å
Total atoms total_atoms7690
Residues n_residues1025
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 dmax91.8 Å
Rg (real space) rg_real29.22 Å
Rg uncertainty (real space) rg_real_error0.54 Å
I(0) (real space) i0_real1.9030e+08
I(0) uncertainty (real space) i0_real_error2.7530e+06
Rg (reciprocal space) rg_reciprocal29.29 Å
I(0) (reciprocal space) i0_reciprocal190400000.0000
Solution quality estimate total_estimate0.8937
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary37.4 Å
Skewness Skewness skewness0.204
Kurtosis Kurtosis kurtosis-0.416
Angular range angular_range— – 0.2700 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha89930000.0000
Real-space data points n_real_points55
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.907; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.909
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

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7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd5g0va_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.2 — Tyrosine-dependent oxidoreductases
Domain ID domain_idd5g0vb_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.2 — Tyrosine-dependent oxidoreductases
Domain ID domain_idd5g0vc_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.2 — Tyrosine-dependent oxidoreductases
Domain ID domain_idd5g0vd_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.2 — Tyrosine-dependent oxidoreductases

CATH v4.4 (4 domains)

Domain ID domain_id5g0vA00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily720 — NAD(P)-binding Rossmann-like Domain
Domain ID domain_id5g0vB00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily720 — NAD(P)-binding Rossmann-like Domain
Domain ID domain_id5g0vC00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily720 — NAD(P)-binding Rossmann-like Domain
Domain ID domain_id5g0vD00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily720 — NAD(P)-binding Rossmann-like Domain
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8. Citations (1)

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9. Files and Curves (10)