MolNFT v1 · #152350 · protein
Crystal structure of HLA-B*4001 in complex with SARS-cov derived peptide N216-225 getalallll
6IEX · MHC class I antigen: “Crystal structure of HLA-B*4001 in complex with SARS-cov derived peptide N216-225 getalallll”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #152350 on GenesisL1: 3D structure, binding sites…
- PDB
- 6IEX
- Type
- protein
- Length
- 383 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MHC class I antigen; Beta-2-microglobulin; Gly-glu-thr-ala-leu-ala-leu-leu-leu-leu
- UniProt
- F4NBU6, P61769
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MHC class I antigen | protein | 274 | 27% helix, 40% strand | F4NBU6 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| C | Gly-glu-thr-ala-leu-ala-leu-leu-leu-leu | protein | 10 | 0% helix, 0% strand | — |
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 | 570 | 0.69 | 0.78 | 48 | empty |
| 2 | 86 | 0.46 | 0.81 | 16 | empty |
| 3 | 94 | 0.45 | 0.80 | 23 | empty |
| 4 | 55 | 0.38 | 0.80 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1302 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 859 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6IEX · Crystal structure of HLA-B*4001 in complex with SARS-CoV derived peptide N216-225… · 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 F4NBU6
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 6IEX · PDBe 6IEX · UniProt F4NBU6 · UniProt P61769
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