4NZ9
Crystal Structure of FabI from S. aureus in complex with a novel benzimidazole inhibitor
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 [NADPH] | polymer | 279 | 30569.7 | 2 | UniProt (Q2FI66) Pfam (PF13561) UniProt (by SIFTS) (A0A0H2XIJ1) In PDB | Staphylococcus aureus | ENR |
2 | A, B | 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole | non-polymer | 306.4 | 2 | Chemie (1JT) | |||
3 | A, B | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
4 | water | water | 18.0 | 133 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 256 (UniProt: Q2FI66)
PDB | External Database | Details |
---|---|---|
Met -22 | - | expression tag |
Gly -21 | - | expression tag |
Ser -20 | - | expression tag |
Ser -19 | - | expression tag |
His -18 | - | expression tag |
His -17 | - | expression tag |
His -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
Ser -12 | - | expression tag |
Ser -11 | - | expression tag |
Gly -10 | - | expression tag |
Leu -9 | - | expression tag |
Val -8 | - | expression tag |
Pro -7 | - | expression tag |
Arg -6 | - | expression tag |
Gly -5 | - | expression tag |
Ser -4 | - | expression tag |
His -3 | - | expression tag |
Met -2 | - | expression tag |
Leu -1 | - | expression tag |
Glu 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 61139.3 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 2099.6 | |
All* | Total formula weight | 63238.9 |