MolNFT v1 · #106358 · protein
Crystal structure of CXCR4 and viral chemokine antagonist vmip-II complex (psi community target)
4RWS · C-X-C chemokine receptor type 4/ENDOLYSIN chimeric protein: “Crystal structure of CXCR4 and viral chemokine antagonist vmip-II complex (psi community target)”. X-ray diffraction, 4 pockets (best druggability 0.80). MolNFT v1 #106358…
- PDB
- 4RWS
- Type
- protein
- Length
- 508 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- C-X-C chemokine receptor type 4/ENDOLYSIN chimeric protein; Viral macrophage inflammatory…
- EC
- 3.2.1.17
- UniProt
- P61073, P00720, Q98157
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | C-X-C chemokine receptor type 4/ENDOLYSIN chimeric protein (EC 3.2.1.17) | protein | 438 | 69% helix, 5% strand | P61073, P00720 |
| C | Viral macrophage inflammatory protein 2 | protein | 70 | 13% helix, 24% strand | Q98157 |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 902 | 0.80 | 0.82 | 58 | empty |
| 2 | 503 | 0.71 | 0.80 | 56 | empty |
| 3 | 121 | 0.57 | 0.84 | 20 | empty |
| 4 | 86 | 0.29 | 0.72 | 19 | empty |
Interfaces
1 interface between chains.
- A–C · 1331 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 4RWS · Crystal structure of CXCR4 and viral chemokine antagonist vMIP-II complex (PSI Community… · the same entry in another collection · chain A against A, TM-score 1.00
- P61073 · AlphaFold monomer V2.0 prediction for C-X-C chemokine receptor type 4 (P61073) · a predicted model of the same protein · chain A against A, TM-score 0.59
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 P61073
- Every structure of UniProt P00720
- Every structure of UniProt Q98157
- Elsewhere: RCSB PDB 4RWS · PDBe 4RWS · UniProt P61073 · UniProt P00720 · UniProt Q98157
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