MolNFT v1 · #100814 · protein
Crystal structure of killer cell immunoglobulin-like receptor KIR2DS2 in complex with HLA-a
4N8V · Killer cell immunoglobulin-like receptor 2DS2: “Crystal structure of killer cell immunoglobulin-like receptor KIR2DS2 in complex with HLA-a”. X-ray diffraction, 18 pockets (best druggability 0.68). MolNFT v1 #100814 on GenesisL1: 3D…
- PDB
- 4N8V
- Type
- protein
- Length
- 1,145 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Killer cell immunoglobulin-like receptor 2DS2; HLA class I histocompatibility antigen…
- UniProt
- P43631, P13746, P61769, Q76ZQ3
- Pockets
- 18 · best druggability 0.68
Structure
x-ray diffraction · 5 distinct chains · 11% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| G, I | Killer cell immunoglobulin-like receptor 2DS2 | protein | 190 | 0% helix, 54% strand | P43631 |
| A, D | HLA class I histocompatibility antigen, a-11 alpha chain | protein | 274 | 26% helix, 40% strand | P13746 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C, F | Peptide from virion membrane protein A14 | protein | 9 | 0% helix, 0% strand | Q76ZQ3 |
| E | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
Pockets
18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 567 | 0.68 | 0.78 | 56 | empty |
| 2 | 546 | 0.67 | 0.78 | 45 | empty |
| 3 | 167 | 0.57 | 0.82 | 28 | empty |
| 4 | 213 | 0.54 | 0.78 | 29 | empty |
| 5 | 222 | 0.54 | 0.78 | 26 | empty |
Interfaces
10 interfaces between chains.
- A–B · 1439 Ų buried · 18 hydrogen bonds · protein-protein
- D–E · 1378 Ų buried · 19 hydrogen bonds · protein-protein
- D–F · 942 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 937 Ų buried · 17 hydrogen bonds · protein-protein
- G–A · 631 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 4N8V · Crystal structure of killer cell immunoglobulin-like receptor KIR2DS2 in complex with… · the same entry in another collection · chain F against F, TM-score 1.00
- P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain E against A, TM-score 0.98
- P43631 · AlphaFold monomer V2.0 prediction for killer cell immunoglobulin-like receptor 2DS2… · a predicted model of the same protein · chain G against A, TM-score 0.97
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 P43631
- Every structure of UniProt P13746
- Every structure of UniProt P61769
- Every structure of UniProt Q76ZQ3
- Elsewhere: RCSB PDB 4N8V · PDBe 4N8V · UniProt P43631 · UniProt P13746 · UniProt P61769 · UniProt Q76ZQ3
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