4YRD
Crystal structure of CapF with inhibitor 3-isopropenyl-tropolone
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) | Capsular polysaccharide synthesis enzyme Cap5F | polymer | 359 | 40962.1 | 2 | UniProt (Q99X63) Pfam (PF01370) UniProt (by SIFTS) (A0A0H3JP37) | Staphylococcus aureus (strain Mu50 / ATCC 700699) | |
| 2 | C, E (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, F (A, B) | 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one | non-polymer | 162.2 | 2 | Chemie (3IT) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 194 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 369 (UniProt: Q99X63)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Gly 57 | Asn 57 | engineered mutation |
| - | Arg 58 | deletion |
| - | Pro 59 | deletion |
| - | Glu 60 | deletion |
| - | His 61 | deletion |
| - | Asp 62 | deletion |
| - | Lys 63 | deletion |
| - | Glu 64 | deletion |
| - | Phe 65 | deletion |
| - | Ser 66 | deletion |
| - | Leu 67 | deletion |
| - | Gly 68 | deletion |
| - | Asn 69 | deletion |
| - | Val 70 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 81924.2 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 455.2 | |
| All* | Total formula weight | 82379.4 |
