9S8I
Crystal Structure of UDP-N-acetylmuramate-L-alanine ligase (MurC) from Pseudomonas aeruginosa in complex with compound OSA_001176 (WYH78)
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) | UDP-N-acetylmuramate--L-alanine ligase | polymer | 487 | 52906.3 | 2 | UniProt (Q9HW02) Pfam (PF01225) Pfam (PF08245) Pfam (PF02875) | Pseudomonas aeruginosa | UDP-N-acetylmuramoyl-L-alanine synthetase |
| 2 | C, T (A, B) | (1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol | non-polymer | 418.5 | 2 | Chemie (WIR) | |||
| 3 | D, E, F, U, V... (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 6 | Chemie (PO4) | |||
| 4 | G, X (A, B) | UNKNOWN LIGAND | non-polymer | 2 | Chemie (UNX) | ||||
| 5 | AA, BA, CA, DA, EA... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 15 | Chemie (EDO) | |||
| 6 | I, S (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 7 | P, R (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 8 | FA, GA (A, B) | water | water | 18.0 | 353 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 480 (UniProt: Q9HW02)
| PDB | External Database | Details |
|---|---|---|
| Ala 481 | - | expression tag |
| Glu 482 | - | expression tag |
| Asn 483 | - | expression tag |
| Leu 484 | - | expression tag |
| Tyr 485 | - | expression tag |
| Phe 486 | - | expression tag |
| Gln 487 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 105812.7 | |
| Non-Polymers* | Number of molecules | 29 |
| Total formula weight | 2706.3 | |
| All* | Total formula weight | 108519.0 |
