8B8H
Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Alanine racemase | polymer | 387 | 41049.9 | 2 | UniProt (P9WQA9) Pfam (PF01168) Pfam (PF00842) | Mycobacterium tuberculosis H37Rv | |
| 2 | C (A) | [2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium | non-polymer | 332.2 | 1 | Chemie (OJQ) | |||
| 3 | D, H (A, B) | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium | non-polymer | 332.2 | 2 | Chemie (L7N) | |||
| 4 | E (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 5 | F, I (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 6 | G (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | J, K, L (B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 8 | M, N (A, B) | water | water | 18.0 | 343 | Chemie (HOH) |
Sequence modifications
A, B: 3 - 386 (UniProt: P9WQA9)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Ser 1 | - | expression tag |
| His 2 | - | expression tag |
| Asn 322 | Asp 322 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 82099.8 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1386.0 | |
| All* | Total formula weight | 83485.7 |
