MolNFT v1 · #171918 · protein
Crystal structure of INHA:01 TCR in complex with HLA-E bound to inha (53-61)
6ZKW · HLA class I histocompatibility antigen, alpha chain E: “Crystal structure of INHA:01 TCR in complex with HLA-E bound to inha (53-61)”. X-ray diffraction, 14 pockets (best druggability 0.70). MolNFT v1 #171918 on GenesisL1: 3D…
- PDB
- 6ZKW
- Type
- protein
- Length
- 814 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, alpha chain E; Beta-2-microglobulin…
- EC
- 1.3.1.9
- UniProt
- P13747, P61769, P9WGR1
- Pockets
- 14 · best druggability 0.70
Structure
x-ray diffraction · 5 distinct chains · 12% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, alpha chain E | protein | 274 | 26% helix, 39% strand | P13747 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 9 | 0% helix, 0% strand | P9WGR1 |
| D | T-cell receptor alpha chain | protein | 188 | 5% helix, 49% strand | — |
| E | T-cell receptor beta chain | protein | 243 | 6% helix, 50% strand | — |
Pockets
14 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 643 | 0.70 | 0.78 | 65 | empty |
| 2 | 894 | 0.69 | 0.75 | 72 | empty |
| 3 | 176 | 0.55 | 0.80 | 22 | empty |
| 4 | 105 | 0.47 | 0.80 | 16 | empty |
| 5 | 119 | 0.47 | 0.79 | 20 | empty |
Interfaces
7 interfaces between chains.
- D–E · 2298 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 1402 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 961 Ų buried · 11 hydrogen bonds · protein-protein
- A–E · 503 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 389 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6ZKW · Crystal structure of InhA:01 TCR in complex with HLA-E bound to InhA (53-61) · the same entry in another collection · chain E against E, 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 0.99
- P13747 · AlphaFold monomer V2.0 prediction for HLA class I histocompatibility antigen, alpha chain… · a predicted model of the same protein · chain A against A, TM-score 0.94
- P9WGR1 · AlphaFold monomer V2.0 prediction for enoyl-[acyl-carrier-protein] reductase [NADH]… · a predicted model of the same protein · chain C against A, TM-score 0.42
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 P13747
- Every structure of UniProt P61769
- Every structure of UniProt P9WGR1
- Elsewhere: RCSB PDB 6ZKW · PDBe 6ZKW · UniProt P13747 · UniProt P61769 · UniProt P9WGR1
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