4J4T
Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
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... | Enoyl-[acyl-carrier-protein] reductase [NADH] | polymer | 280 | 30006.6 | 8 | UniProt (Q5NGQ3) Pfam (PF13561) In PDB | Francisella tularensis subsp. tularensis | |
2 | F, G, H, A, B... | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 8 | Chemie (NAD) | |||
3 | F, G, H, A, B... | 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole | non-polymer | 306.4 | 8 | Chemie (1JU) | |||
4 | H, A, B, C, D | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
5 | F, H, B | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) | |||
6 | B, D | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
7 | water | water | 18.0 | 857 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 1 - 260 (UniProt: Q5NGQ3)
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 | 8 |
Total formula weight | 240052.5 | |
Non-Polymers* | Number of molecules | 28 |
Total formula weight | 8590.0 | |
All* | Total formula weight | 248642.5 |