5MTP
Crystal structure of M. tuberculosis InhA inhibited by PT514
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, E, G, C... | Enoyl-[acyl-carrier-protein] reductase [NADH] | polymer | 289 | 30726.1 | 8 | UniProt (P9WGR0) Pfam (PF13561) In PDB | Mycobacterium tuberculosis CDC1551 | Enoyl-ACP reductase,FAS-II enoyl-ACP reductase,NADH-dependent 2-trans-enoyl-ACP reductase |
2 | H, A, B, E, G... | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 8 | Chemie (NAD) | |||
3 | H, A, B, E, G... | 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol | non-polymer | 357.4 | 8 | Chemie (53K) | |||
4 | A, C | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
5 | H, D, F | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) | |||
6 | water | water | 18.0 | 1401 | Chemie (HOH) |
Sequence modifications
A, B, E, G, C, D, F, H: 1 - 269 (UniProt: P9WGR0)
PDB | External Database | Details |
---|---|---|
Met -19 | - | initiating methionine |
Gly -18 | - | expression tag |
Ser -17 | - | expression tag |
Ser -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
Ser -9 | - | expression tag |
Ser -8 | - | expression tag |
Gly -7 | - | expression tag |
Leu -6 | - | expression tag |
Val -5 | - | expression tag |
Pro -4 | - | expression tag |
Arg -3 | - | expression tag |
Gly -2 | - | expression tag |
Ser -1 | - | expression tag |
His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 8 |
Total formula weight | 245809.0 | |
Non-Polymers* | Number of molecules | 21 |
Total formula weight | 8306.5 | |
All* | Total formula weight | 254115.6 |