MolNFT v1 · #32614 · protein
Structures of three HIV-1 HLA-B5703-peptide complexes and identification of related hlas potentially associated with long-term non-progression
2BVQ · HLA class I histocompatibility antigen, B-57 alpha chain: “Structures of three HIV-1 HLA-B5703-peptide complexes and identification of related hlas potentially…”. X-ray diffraction, 6 pockets (best druggability 0.71). MolNFT v1…
- PDB
- 2BVQ
- Type
- protein
- Length
- 381 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, B-57 alpha chain; Beta-2-microglobulin; HIV-P24
- UniProt
- P18465, P61769
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, B-57 alpha chain | protein | 274 | 28% helix, 39% strand | P18465 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| C | HIV-P24 | protein | 8 | 0% helix, 0% strand | — |
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 689 | 0.71 | 0.78 | 54 | empty |
| 2 | 111 | 0.48 | 0.80 | 23 | empty |
| 3 | 113 | 0.45 | 0.78 | 21 | empty |
| 4 | 93 | 0.37 | 0.76 | 19 | empty |
| 5 | 66 | 0.36 | 0.78 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1246 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 816 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2BVQ · Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs… · the same entry in another collection · chain A against A, TM-score 1.00
- P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P18465
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 2BVQ · PDBe 2BVQ · UniProt P18465 · UniProt P61769
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