Research workbench
Structure of human CIB1 in complex with peptide inhibitor UNC10245092
Analyse Structure of human CIB1 in complex with peptide inhibitor UNC10245092 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6OD0
- Type
- protein
- Length
- 348 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium and integrin-binding protein 1; Peptide inhibitor UNC10245092
- UniProt
- Q99828
- Ligands
- CA
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 60% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium and integrin-binding protein 1 | protein | 163 | 59% helix, 4% strand | Q99828 |
| B | Calcium and integrin-binding protein 1 | protein | 161 | 60% helix, 4% strand | Q99828 |
| D, E | Peptide inhibitor UNC10245092 | protein | 12 | 83% helix, 0% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains A, B, 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 | 227 | 0.56 | 0.78 | 25 | empty |
| 2 | 279 | 0.50 | 0.74 | 41 | CA |
| 3 | 190 | 0.49 | 0.76 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–D · 729 Ų buried · 3 hydrogen bonds · protein-protein
- B–E · 721 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 178 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6OD0 · Structure of human CIB1 in complex with peptide inhibitor UNC10245092 · the same entry in another collection · chain A against A, TM-score 1.00
- Q99828 · AlphaFold monomer V2.0 prediction for calcium and integrin-binding protein 1 (Q99828) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q99828
- Elsewhere: RCSB PDB 6OD0 · PDBe 6OD0 · UniProt Q99828
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