MolNFT v1 · #105006 · protein
Crystal structure of HLA B*3501-ips in complex with a delta-beta TCR, clone 12 TCR
4QRR · HLA class I histocompatibility antigen, B-35 alpha chain: “Crystal structure of HLA B*3501-ips in complex with a delta-beta TCR, clone 12 TCR”. X-ray diffraction, 9 pockets (best druggability 0.72). MolNFT v1 #105006 on GenesisL1…
- PDB
- 4QRR
- Type
- protein
- Length
- 828 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, B-35 alpha chain; Beta-2-microglobulin; CLONE12…
- UniProt
- P30685, P61769, P18139
- Pockets
- 9 · best druggability 0.72
Structure
x-ray diffraction · 5 distinct chains · 11% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, B-35 alpha chain | protein | 276 | 26% helix, 38% strand | P30685 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| D | CLONE12 TCR beta chain | protein | 203 | 1% helix, 44% strand | — |
| E | CLONE12 TCR alpha chain | protein | 241 | 6% helix, 51% strand | — |
| P | Ips peptide from CMV, ipsinvhhy | protein | 9 | 0% helix, 0% strand | P18139 |
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 968 | 0.72 | 0.76 | 70 | empty |
| 2 | 513 | 0.71 | 0.80 | 51 | empty |
| 3 | 125 | 0.46 | 0.78 | 25 | empty |
| 4 | 68 | 0.45 | 0.82 | 17 | empty |
| 5 | 68 | 0.45 | 0.82 | 18 | empty |
Interfaces
7 interfaces between chains.
- D–E · 2338 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 1432 Ų buried · 18 hydrogen bonds · protein-protein
- A–P · 943 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 668 Ų buried · 4 hydrogen bonds · protein-protein
- A–E · 275 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4QRR · Crystal Structure of HLA B*3501-IPS in complex with a Delta-Beta TCR, clone 12 TCR · 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 P30685
- Every structure of UniProt P61769
- Every structure of UniProt P18139
- Elsewhere: RCSB PDB 4QRR · PDBe 4QRR · UniProt P30685 · UniProt P61769 · UniProt P18139
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.