5CP8
The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Enoyl-[acyl-carrier-protein] reductase [NADH] | polymer | 289 | 30684.1 | 1 | UniProt (M9TGV3) Pfam (PF13561) UniProt (by SIFTS) (P9WGR1) | Mycobacterium tuberculosis | |
| 2 | B (A) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 1 | Chemie (NAD) | |||
| 3 | C (A) | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL | non-polymer | 284.4 | 1 | Chemie (TCU) | |||
| 4 | D (A) | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL | non-polymer | 208.3 | 1 | Chemie (ETE) | |||
| 5 | E (A) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 1 | Chemie (EPE) | |||
| 6 | F (A) | water | water | 18.0 | 94 | Chemie (HOH) |
Sequence modifications
A: 1 - 269 (UniProt: M9TGV3)
| PDB | External Database | Details |
|---|---|---|
| Met -19 | - | initiating methionine |
| 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 |
| Ala 215 | Ile 215 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 30684.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1394.4 | |
| All* | Total formula weight | 32078.4 |
