CRYSTAL STRUCTURE OF ISONIAZID-RESISTANT S94A ENOYL-ACP(COA) MUTANT ENZYME FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WII NH
PDB id Source Resolution
2IEB 2.2 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
ZID Valid submit data   launch gocavviewer-lite   768.519
C27 H30 N8 O15 P2
 c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O

CRYSTALLOGRAPHIC STUDIES ON THE BINDING OF ISONICOT ADDUCT TO WILD-TYPE AND ISONIAZID RESISTANT 2-TRANS-ENOYL-ACP (COA) REDUCTASE FROM MYCOBACTERIU TUBERCULOSIS. J.STRUCT.BIOL. V. 159 369 2007

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90% Homology Family

The Class containing this family consists of a total of 11 families.
Leader:    2IDZ
CRYSTAL STRUCTURE OF WILD TYPE ENOYL-ACP(COA)
REDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS IN
COMPLEX WITH NADH-INH
PDB id Binding data Representative ligand
2IDZ Kd < 0.4 nM ZID
1ENY   NAD
2AQ8 Kd = 2.5 uM NAH
2AQH Kd = 14.9 uM NAH
2AQI Kd = 32.0 uM NAH
2AQK Kd = 23.0 uM NAH
2B35 Ki = 0.22 uM TCL
2H7I ic50 = 10.66 uM 566
2H7L ic50 = 0.89 uM 665
2H7M ic50 = 0.39 uM 641
2H7N ic50 = 0.97 uM 744
2H7P ic50 = 23.12 uM 468
2H9I   EAD
2IE0   ZID
2IEB   ZID
2NSD ic50 = 5.16 uM 4PI
2NTJ Ki = 2.0 nM P1H
2NTV Ki = 11.0 nM P1H
2NV6 ic50 = 323.0 nM ZID
2PR2 Ki = 130.0 nM DG1
2X22 Ki = 7.8 nM TCU
2X23 Ki = 7.8 nM TCU
3FNE ic50 = 29.0 nM 8PC
3FNF ic50 = 51.0 nM JPM
3FNG ic50 = 110.0 nM JPL
3OEW Kd = 1.5 uM NAD
3OEY Kd = 3.5 uM NAD
3OF2 Kd = 4.7 uM NAD