4J1N
Crystal structures 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 | Enoyl-[acyl-carrier-protein] reductase [NADH] | polymer | 280 | 30006.6 | 2 | UniProt (Q5NGQ3) Pfam (PF13561) In PDB | Francisella tularensis subsp. tularensis | Enoyl Reductase |
2 | A, B | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 2 | Chemie (NAD) | |||
3 | A, B | 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole | non-polymer | 292.4 | 2 | Chemie (1JN) | |||
4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
5 | water | water | 18.0 | 63 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
Total formula weight | 60013.1 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 2003.7 | |
All* | Total formula weight | 62016.8 |