MolNFT v1 · #112750 · protein
Crystal structure of equine MHC I(EQCA-N*00602) in complexed with equine infectious anaemia virus (eiav) derived peptide gag-CF9
4ZUU · Classical MHC class I antigen: “Crystal structure of equine MHC I(EQCA-N*00602) in complexed with equine infectious anaemia virus (eiav)…”. X-ray diffraction, 5 pockets (best druggability 0.69). MolNFT v1 #112750 on GenesisL1: 3D…
- PDB
- 4ZUU
- Type
- protein
- Length
- 382 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Classical MHC class I antigen; Beta-2-microglobulin; Cys-thr-ser-glu-glu-met-asn-ala-phe
- UniProt
- Q860N6, P01887
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Classical MHC class I antigen | protein | 274 | 28% helix, 39% strand | Q860N6 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P01887 |
| C | Cys-thr-ser-glu-glu-met-asn-ala-phe | protein | 9 | 0% helix, 0% strand | — |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 513 | 0.69 | 0.79 | 57 | empty |
| 2 | 95 | 0.44 | 0.79 | 18 | empty |
| 3 | 62 | 0.42 | 0.82 | 16 | empty |
| 4 | 81 | 0.35 | 0.76 | 17 | empty |
| 5 | 58 | 0.35 | 0.78 | 13 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1341 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 768 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 4ZUU · Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious… · the same entry in another collection · chain A against A, TM-score 1.00
- P01887 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P01887) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q860N6
- Every structure of UniProt P01887
- Elsewhere: RCSB PDB 4ZUU · PDBe 4ZUU · UniProt Q860N6 · UniProt P01887
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