MolNFT v1 · #184620 · protein
Crystal structure of HLA-A*11:01 in complex with KRAS peptide (vvvgaggvgk)
7OW3 · MHC class I antigen: “Crystal structure of HLA-A*11:01 in complex with KRAS peptide (vvvgaggvgk)”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #184620 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7OW3
- Type
- protein
- Length
- 1,530 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MHC class I antigen; Beta-2-microglobulin; KRAS peptide (vvvgaggvgk)
- EC
- 3.6.5.2
- UniProt
- A0A583ZB34, P61769, P01111
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 6 distinct chains · 21% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, G | MHC class I antigen | protein | 274 | 26% helix, 40% strand | A0A583ZB34 |
| B, E, H, K | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C, L | KRAS peptide (vvvgaggvgk) (EC 3.6.5.2) | protein | 10 | 0% helix, 0% strand | P01111 |
| F | KRAS peptide (vvvgaggvgk) (EC 3.6.5.2) | protein | 7 | 0% helix, 0% strand | P01111 |
| I | KRAS peptide (vvvgaggvgk) (EC 3.6.5.2) | protein | 6 | 0% helix, 0% strand | P01111 |
| J | MHC class I antigen | protein | 275 | 27% helix, 40% strand | A0A583ZB34 |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 713 | 0.82 | 0.86 | 97 | empty |
| 2 | 888 | 0.82 | 0.84 | 95 | empty |
| 3 | 497 | 0.76 | 0.84 | 60 | empty |
| 4 | 504 | 0.75 | 0.83 | 63 | empty |
| 5 | 255 | 0.67 | 0.84 | 36 | empty |
Interfaces
19 interfaces between chains.
- D–E · 1461 Ų buried · 24 hydrogen bonds · protein-protein
- J–K · 1454 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 1452 Ų buried · 24 hydrogen bonds · protein-protein
- G–H · 1416 Ų buried · 24 hydrogen bonds · protein-protein
- A–J · 873 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 7OW3 · Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVVGAGGVGK) · the same entry in another collection · chain L against L, TM-score 1.00
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 A0A583ZB34
- Every structure of UniProt P61769
- Every structure of UniProt P01111
- Elsewhere: RCSB PDB 7OW3 · PDBe 7OW3 · UniProt A0A583ZB34 · UniProt P61769 · UniProt P01111
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.