MolNFT v1 · #81781 · protein
Compcc in complex with fatty acids
3V2P · Cartilage oligomerization matrix protein (coiled-coil…: “Compcc in complex with fatty acids”. X-ray diffraction, 1 ligand (STE), 3 pockets (best druggability 0.83). MolNFT v1 #81781 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3V2P
- Type
- protein
- Length
- 225 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cartilage oligomerization matrix protein (coiled-coil domain)
- Ligands
- STE
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 82% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Cartilage oligomerization matrix protein (coiled-coil domain) | protein | 45 | 82% helix, 0% strand | — |
Ligands and binding sites
- STE · Stearic acid · ligand · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 213 | 0.83 | 0.95 | 32 | STE |
| 2 | 182 | 0.80 | 0.94 | 27 | empty |
| 3 | 169 | 0.48 | 0.76 | 22 | empty |
Interfaces
10 interfaces between chains.
- D–E · 1203 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1164 Ų buried · 14 hydrogen bonds · protein-protein
- A–E · 1152 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1148 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 1127 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3V2P · COMPcc in complex with fatty acids · the same entry in another collection · chain A against A, 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
- Elsewhere: RCSB PDB 3V2P · PDBe 3V2P
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