MolNFT v1 · #36856 · protein
Solution structure of the complex between poxvirus-encoded cc chemokine inhibitor vcci and human mip-1BETA, ensemble structure
2FIN · Rabbitpox encoded cc chemokine inhibitor: “Solution structure of the complex between poxvirus-encoded cc chemokine inhibitor vcci and human mip-1BETA…”. Solution nmr, 5 pockets (best druggability 0.62). MolNFT v1 #36856 on…
- PDB
- 2FIN
- Type
- protein
- Length
- 311 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rabbitpox encoded cc chemokine inhibitor; Small inducible cytokine A4
- UniProt
- P13236
- Pockets
- 5 · best druggability 0.62
Structure
solution nmr · 2 distinct chains · 11% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rabbitpox encoded cc chemokine inhibitor | protein | 242 | 8% helix, 31% strand | — |
| B | Small inducible cytokine A4 | protein | 69 | 22% helix, 16% strand | P13236 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 77 | 0.62 | 0.90 | 18 | empty |
| 2 | 89 | 0.53 | 0.84 | 15 | empty |
| 3 | 138 | 0.47 | 0.78 | 27 | empty |
| 4 | 123 | 0.47 | 0.78 | 19 | empty |
| 5 | 72 | 0.35 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1023 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 2FIN · Solution Structure of the complex between poxvirus-encoded CC chemokine inhibitor vCCI… · the same entry in another collection · chain A against A, TM-score 1.00
- P13236 · AlphaFold monomer V2.0 prediction for C-C motif chemokine 4 (P13236) · a predicted model of the same protein · chain B against A, TM-score 0.82
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 P13236
- Elsewhere: RCSB PDB 2FIN · PDBe 2FIN · UniProt P13236
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