MolNFT v1 · #94692 · protein
Structure of HLA-A68 complexed with an HIV env derived peptide
4I48 · HLA class I histocompatibility antigen, a-68 alpha chain: “Structure of HLA-A68 complexed with an HIV env derived peptide”. X-ray diffraction, 4 pockets (best druggability 0.68). MolNFT v1 #94692 on GenesisL1: 3D structure, binding…
- PDB
- 4I48
- Type
- protein
- Length
- 382 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, a-68 alpha chain; Beta-2-microglobulin; 9-mer…
- UniProt
- P01891, P61769, Q70626
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, a-68 alpha chain | protein | 274 | 27% helix, 39% strand | P01891 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 52% strand | P61769 |
| C | 9-mer peptide from envelope glycoprotein GP160 | protein | 9 | 0% helix, 0% strand | Q70626 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 604 | 0.68 | 0.77 | 53 | empty |
| 2 | 176 | 0.50 | 0.77 | 29 | empty |
| 3 | 50 | 0.39 | 0.81 | 15 | empty |
| 4 | 75 | 0.35 | 0.76 | 18 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1338 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 836 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
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 P01891
- Every structure of UniProt P61769
- Every structure of UniProt Q70626
- Elsewhere: RCSB PDB 4I48 · PDBe 4I48 · UniProt P01891 · UniProt P61769 · UniProt Q70626
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