4OXN
Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Enoyl-[acyl-carrier-protein] reductase [NADH] | polymer | 289 | 30726.1 | 2 | UniProt (P0A5Y6) Pfam (PF13561) UniProt (by SIFTS) (P9WGR1) In PDB | Mycobacterium tuberculosis | NADH-dependent enoyl-ACP reductase |
2 | A, B | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 2 | Chemie (NAD) | |||
3 | A, B | 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium | non-polymer | 314.4 | 2 | Chemie (1S5) | |||
4 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
5 | A, B | 3,6,9,12,15-pentaoxaoctadecan-17-amine | non-polymer | 279.4 | 8 | Chemie (2NV) | |||
6 | B | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 1 | Chemie (EPE) | |||
7 | water | water | 18.0 | 138 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 269 (UniProt: P0A5Y6)
PDB | External Database | Details |
---|---|---|
Met -19 | - | expression tag |
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 | 2 |
Total formula weight | 61452.3 | |
Non-Polymers* | Number of molecules | 15 |
Total formula weight | 4499.9 | |
All* | Total formula weight | 65952.2 |