4CV0
Crystal structure of S. aureus FabI in complex with NADPH and CG400549 (small unit cell)
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 | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH] | polymer | 282 | 31144.2 | 4 | UniProt (Q7A6D8) Pfam (PF13561) UniProt (by SIFTS) (A0A0H3JLH9) In PDB | STAPHYLOCOCCUS AUREUS | ENR, ENOYL-ACP REDUCTASE |
2 | A, B, C, D | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 4 | Chemie (NDP) | |||
3 | A, B, C, D | 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one | non-polymer | 340.4 | 4 | Chemie (PT6) | |||
4 | A, B, C | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
5 | B, D | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
6 | water | water | 18.0 | 423 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 | 4 |
Total formula weight | 124577.0 | |
Non-Polymers* | Number of molecules | 13 |
Total formula weight | 4755.8 | |
All* | Total formula weight | 129332.7 |