8FA0
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14208, an HIV-1 gp120 antagonist
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | HIV-1 gp120 core | polymer | 353 | 39160.4 | 1 | UniProt (A0A0M3KKW8) Pfam (PF00516) | Homo sapiens (human) | |
| 2 | B, C, D, E, F... (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 8 | Chemie (NAG) | |||
| 3 | J, K (A) | N-{(1S)-2-amino-1-[4,5-bis(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3,5-difluorophenyl)-1H-pyrrole-2-carboxamide | non-polymer | 442.9 | 2 | Chemie (XKR) | |||
| 4 | L (A) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 1 | Chemie (EPE) | |||
| 5 | M (A) | water | water | 18.0 | 49 | Chemie (HOH) |
Sequence modifications
A: 44 - 492 (UniProt: A0A0M3KKW8)
| PDB | External Database | Details |
|---|---|---|
| Ser 375 | His 242 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 39160.4 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 2893.7 | |
| All* | Total formula weight | 42054.1 |
