9CD8
Crystal Structure of Acetyl-CoA synthetase from Cryptococcus neoformans H99 in complex with inhibitor HGN-1310 (dd3-027)
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Acetyl-coenzyme A synthetase | polymer | 694 | 77516.8 | 1 | UniProt (J9VFT1) Pfam (PF16177) Pfam (PF00501) Pfam (PF13193) | Cryptococcus neoformans var. grubii | |
| 2 | B, C (B, C) | Acetyl-coenzyme A synthetase | polymer | 694 | 77475.8 | 2 | UniProt (J9VFT1) Pfam (PF16177) Pfam (PF00501) Pfam (PF13193) | Cryptococcus neoformans var. grubii | |
| 3 | D, E, F, K, L... (A, B, C) | GLYCEROL | non-polymer | 92.1 | 9 | Chemie (GOL) | |||
| 4 | G, H, N, O (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | I (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | J, P, T (A, B, C) | (5P)-3-azido-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide | non-polymer | 415.4 | 3 | Chemie (A1AV1) | |||
| 7 | U, V, W (A, B, C) | water | water | 18.0 | 548 | Chemie (HOH) |
Sequence modifications
A: 2 - 680 (UniProt: J9VFT1)
B, C: 2 - 680 (UniProt: J9VFT1)
| PDB | External Database | Details |
|---|---|---|
| Met -13 | - | initiating methionine |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| His -9 | - | expression tag |
| His -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| Glu -4 | - | expression tag |
| Asn -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Tyr -1 | - | expression tag |
| Phe 0 | - | expression tag |
| Gln 1 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met -13 | - | initiating methionine |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| His -9 | - | expression tag |
| His -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| Glu -4 | - | expression tag |
| Asn -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Tyr -1 | - | expression tag |
| Phe 0 | - | expression tag |
| Gln 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 232468.3 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 2494.9 | |
| All* | Total formula weight | 234963.2 |
