4D41
Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(4-nitrophenoxy)phenol
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (A, B, C, D, E...) | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH] | polymer | 282 | 31144.2 | 8 | UniProt (Q7A6D8) Pfam (PF13561) UniProt (by SIFTS) (A0A0J9X1X7) | STAPHYLOCOCCUS AUREUS | ENR, ENOYL-ACP REDUCTASE |
| 2 | CA, GA, I, JA, S... (F, G, A, H, C...) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 7 | Chemie (MPD) | |||
| 3 | AA, DA, HA, J, KA... (E, F, G, A, H...) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 8 | Chemie (NAP) | |||
| 4 | FA, IA, K, M, Q... (G, H, A, B, C...) | 5-HEXYL-2-(4-NITROPHENOXY)PHENOL | non-polymer | 315.4 | 8 | Chemie (JA1) | |||
| 5 | BA, EA, L, P, W (F, G, B, C, E) | GLUTAMIC ACID | non-polymer | 147.1 | 5 | Chemie (GLU) | |||
| 6 | N (B) | (4R)-2-METHYLPENTANE-2,4-DIOL | non-polymer | 118.2 | 1 | Chemie (MRD) | |||
| 7 | LA, MA, NA, OA, PA... (A, B, C, D, E...) | water | water | 18.0 | 929 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 1 - 256 (UniProt: Q7A6D8)
| PDB | External Database | Details |
|---|---|---|
| Met -25 | - | expression tag |
| Lys -24 | - | expression tag |
| His -23 | - | expression tag |
| His -22 | - | expression tag |
| His -21 | - | expression tag |
| His -20 | - | expression tag |
| His -19 | - | expression tag |
| His -18 | - | expression tag |
| Pro -17 | - | expression tag |
| Met -16 | - | expression tag |
| Ser -15 | - | expression tag |
| Asp -14 | - | expression tag |
| Tyr -13 | - | expression tag |
| Asp -12 | - | expression tag |
| Ile -11 | - | expression tag |
| Pro -10 | - | expression tag |
| Thr -9 | - | expression tag |
| Thr -8 | - | expression tag |
| Glu -7 | - | expression tag |
| Asn -6 | - | expression tag |
| Leu -5 | - | expression tag |
| Tyr -4 | - | expression tag |
| Phe -3 | - | expression tag |
| Gln -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Val 2 | Leu 2 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 249153.9 | |
| Non-Polymers* | Number of molecules | 29 |
| Total formula weight | 10151.2 | |
| All* | Total formula weight | 259305.1 |
