6O0G
M.tb MenD bound to Intermediate I and 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, C, D (A, D, B, C) | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | polymer | 574 | 60068.9 | 4 | UniProt (P9WK11) Pfam (PF02776) | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | SEPHCHC synthase,Menaquinone biosynthesis protein MenD |
| 2 | BA, E, O, S (C, A, D, B) | 1,4-dihydroxy-2-naphthoic acid | non-polymer | 204.2 | 4 | Chemie (DNA) | |||
| 3 | F, G, H, I (A) | ACETATE ION | non-polymer | 59.0 | 4 | Chemie (ACT) | |||
| 4 | J, K, P, Q, T... (A, D, B) | FORMIC ACID | non-polymer | 46.0 | 8 | Chemie (FMT) | |||
| 5 | L (A) | 2-OXOGLUTARIC ACID | non-polymer | 146.1 | 1 | Chemie (AKG) | |||
| 6 | M, Z (D, C) | 4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3 -ium-2-yl]-4-oxidanyl-butanoic acid | non-polymer | 526.4 | 2 | Chemie (TOG) | |||
| 7 | AA, N (C, D) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 8 | R (D) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 9 | X (B) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 10 | Y (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 11 | CA, DA, EA, FA (A, D, B, C) | water | water | 18.0 | 424 | Chemie (HOH) |
Sequence modifications
A, D, B, C: 1 - 554 (UniProt: P9WK11)
| 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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 240275.8 | |
| Non-Polymers* | Number of molecules | 24 |
| Total formula weight | 2946.3 | |
| All* | Total formula weight | 243222.1 |
