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 | Alanine racemase | polymer | 387 | 41050.9 | 2 | UniProt (P9WQA9) Pfam (PF01168) Pfam (PF00842) In PDB | Mycobacterium tuberculosis H37Rv | |
2 | A, B | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
3 | A | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
4 | B, A | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
5 | B, A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 22 | Chemie (EDO) | |||
6 | B, A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 7 | Chemie (PEG) | |||
7 | B, A | polyethylene glycol | non-polymer | 662.8 | 5 | Chemie (P4K) | |||
8 | 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 | 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 | A, B | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 2 | Chemie (TRS) | |||
11 | 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 |