MolNFT v1 · #99964 · protein
T cell response to a HIV reverse transcriptase epitope presented by the protective allele HLA-B*51:01
4MJI · HLA class I histocompatibility antigen, B-51 alpha chain: “T cell response to a HIV reverse transcriptase epitope presented by the protective allele HLA-B*51:01”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1…
- PDB
- 4MJI
- Type
- protein
- Length
- 1,632 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, B-51 alpha chain; Beta-2-microglobulin; HIV…
- UniProt
- P18464, P61769, R4WL38
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 8 distinct chains · 12% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, B-51 alpha chain | protein | 276 | 25% helix, 40% strand | P18464 |
| B, G | Beta-2-microglobulin | protein | 99 | 0% helix, 45% strand | P61769 |
| C, H | HIV reverse transcriptase peptide marker | protein | 8 | 0% helix, 0% strand | R4WL38 |
| D | T-cell receptor chain alpha | protein | 192 | 5% helix, 43% strand | — |
| E | T-cell receptor beta chain | protein | 240 | 6% helix, 48% strand | — |
| F | HLA class I histocompatibility antigen, B-51 alpha chain | protein | 275 | 25% helix, 41% strand | P18464 |
| I | T-cell receptor chain alpha | protein | 194 | 5% helix, 41% strand | — |
| J | T-cell receptor beta chain | protein | 241 | 6% helix, 46% strand | — |
Pockets
20 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 979 | 0.78 | 0.80 | 91 | empty |
| 2 | 1119 | 0.74 | 0.77 | 94 | empty |
| 3 | 1018 | 0.73 | 0.77 | 78 | empty |
| 4 | 579 | 0.71 | 0.80 | 54 | empty |
| 5 | 342 | 0.54 | 0.74 | 40 | empty |
Interfaces
18 interfaces between chains.
- D–E · 2234 Ų buried · 27 hydrogen bonds · protein-protein
- I–J · 2101 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1347 Ų buried · 20 hydrogen bonds · protein-protein
- F–G · 1342 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 808 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 disulfide (disulfide).
Compared structures
- 4MJI · T cell response to a HIV reverse transcriptase epitope presented by the protective allele… · the same entry in another collection · chain J against J, 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 P18464
- Every structure of UniProt P61769
- Every structure of UniProt R4WL38
- Elsewhere: RCSB PDB 4MJI · PDBe 4MJI · UniProt P18464 · UniProt P61769 · UniProt R4WL38
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