6SCZ
Mycobacterium tuberculosis alanine racemase inhibited by 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 | 41050.9 | 2 | UniProt (P9WQA9) Pfam (PF01168) Pfam (PF00842) | Mycobacterium tuberculosis H37Rv | |
| 2 | C, D, DA, E, EA... (A, B) | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 3 | G (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 4 | GA, H, I (B, A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 5 | HA, IA, J, JA, K... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 22 | Chemie (EDO) | |||
| 6 | SA, TA, U, UA, V... (B, A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 7 | Chemie (PEG) | |||
| 7 | VA, WA, XA, Y, Z (B, A) | polyethylene glycol | non-polymer | 662.8 | 5 | Chemie (P4K) | |||
| 8 | AA (A) | (~{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 | 1 | Chemie (L7N) | |||
| 9 | BA, YA (A, B) | [2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium | non-polymer | 332.2 | 2 | Chemie (OJQ) | |||
| 10 | CA, ZA (A, B) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 2 | Chemie (TRS) | |||
| 11 | AB, BB (A, B) | water | water | 18.0 | 525 | 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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 82101.8 | |
| Non-Polymers* | Number of molecules | 50 |
| Total formula weight | 7454.4 | |
| All* | Total formula weight | 89556.2 |
