5CG2
Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine inhibitor 35b.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | polymer | 305 | 32691.1 | 2 | UniProt (P0AEK4) Pfam (PF13561) | Escherichia coli (strain K12) | ENR,NADH-dependent enoyl-ACP reductase |
| 2 | C, E (A, B) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 2 | Chemie (NAD) | |||
| 3 | D, F (A, B) | 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide | non-polymer | 205.0 | 2 | Chemie (CJ3) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 213 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 262 (UniProt: P0AEK4)
| PDB | External Database | Details |
|---|---|---|
| Met -42 | - | expression tag |
| His -41 | - | expression tag |
| His -40 | - | expression tag |
| His -39 | - | expression tag |
| His -38 | - | expression tag |
| His -37 | - | expression tag |
| His -36 | - | expression tag |
| Ser -35 | - | expression tag |
| Ser -34 | - | expression tag |
| Gly -33 | - | expression tag |
| Leu -32 | - | expression tag |
| Val -31 | - | expression tag |
| Pro -30 | - | expression tag |
| Arg -29 | - | expression tag |
| Gly -28 | - | expression tag |
| Ser -27 | - | expression tag |
| Gly -26 | - | expression tag |
| Met -25 | - | expression tag |
| Lys -24 | - | expression tag |
| Glu -23 | - | expression tag |
| Thr -22 | - | expression tag |
| Ala -21 | - | expression tag |
| Ala -20 | - | expression tag |
| Ala -19 | - | expression tag |
| Lys -18 | - | expression tag |
| Phe -17 | - | expression tag |
| Glu -16 | - | expression tag |
| Arg -15 | - | expression tag |
| Gln -14 | - | expression tag |
| His -13 | - | expression tag |
| Met -12 | - | expression tag |
| Asp -11 | - | expression tag |
| Ser -10 | - | expression tag |
| Pro -9 | - | expression tag |
| Asp -8 | - | expression tag |
| Leu -7 | - | expression tag |
| Gly -6 | - | expression tag |
| Thr -5 | - | expression tag |
| Asp -4 | - | expression tag |
| Asp -3 | - | expression tag |
| Asp -2 | - | expression tag |
| Asp -1 | - | expression tag |
| Lys 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 65382.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1736.9 | |
| All* | Total formula weight | 67119.2 |
