2XPC
Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | polymer | 439 | 47157.5 | 1 | UniProt (Q8X9Y9) Pfam (PF21799) Pfam (PF08245) Pfam (PF02875) UniProt (by SIFTS) (P14900) | ESCHERICHIA COLI | UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE SYNTHETASE, D-GLUTAMIC ACID-ADDING ENZYME, MURD LIGASE |
| 2 | B (A) | (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID | non-polymer | 526.5 | 1 | Chemie (051) | |||
| 3 | C, D, E (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 4 | F, G, H, I (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | J (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | K (A) | water | water | 18.0 | 487 | Chemie (HOH) |
Sequence modifications
A: 1 - 437 (UniProt: Q8X9Y9)
| PDB | External Database | Details |
|---|---|---|
| Ala 374 | Val 375 | conflict |
| Ser 438 | - | expression tag |
| His 439 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 47157.5 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1180.6 | |
| All* | Total formula weight | 48338.1 |
