1XAL
CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE (SOAK)
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) | 3-dehydroquinate synthase | polymer | 354 | 40358.9 | 2 | UniProt (Q6GGU4) Pfam (PF01761) | Staphylococcus aureus | SaDHQS |
| 2 | C, F (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, G (A, B) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 2 | Chemie (NAD) | |||
| 4 | E, H (A, B) | [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID | non-polymer | 270.2 | 2 | Chemie (CRB) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 138 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 354 (UniProt: Q6GGU4)
| PDB | External Database | Details |
|---|---|---|
| Lys 22 | Asp 22 | see remark 999 |
| Tyr 23 | His 23 | see remark 999 |
| Gly 25 | Ser 25 | see remark 999 |
| Leu 28 | Ile 28 | see remark 999 |
| Asn 29 | Asp 29 | see remark 999 |
| Leu 36 | Ile 36 | see remark 999 |
| Tyr 41 | His 41 | see remark 999 |
| Asn 48 | Asp 48 | see remark 999 |
| Val 109 | Ile 109 | see remark 999 |
| Lys 170 | Glu 170 | see remark 999 |
| Val 226 | Ile 226 | see remark 999 |
| Ser 282 | Asn 282 | see remark 999 |
| Met 326 | Ile 326 | see remark 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 80717.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1998.0 | |
| All* | Total formula weight | 82715.8 |
