MolNFT v1 · #23640 · protein
Crystal structure of the CAND1-CUL1-ROC1 complex
1U6G · Cullin homolog 1: “Crystal structure of the CAND1-CUL1-ROC1 complex”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.87). MolNFT v1 #23640 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1U6G
- Type
- protein
- Length
- 1,949 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cullin homolog 1; Ring-box protein 1; TIP120 protein
- UniProt
- Q13616, P62877, Q86VP6
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 3 distinct chains · 64% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cullin homolog 1 | protein | 715 | 66% helix, 7% strand | Q13616 |
| B | Ring-box protein 1 | protein | 88 | 14% helix, 27% strand | P62877 |
| C | TIP120 protein | protein | 1146 | 66% helix, 1% strand | Q86VP6 |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 868 | 0.87 | 0.89 | 99 | empty |
| 2 | 1013 | 0.85 | 0.86 | 126 | empty |
| 3 | 403 | 0.75 | 0.85 | 47 | empty |
| 4 | 1002 | 0.74 | 0.77 | 83 | empty |
| 5 | 82 | 0.73 | 0.95 | 26 | empty |
Interfaces
3 interfaces between chains.
- A–C · 4300 Ų buried · 41 hydrogen bonds · protein-protein
- A–B · 2475 Ų buried · 56 hydrogen bonds · protein-protein
- B–C · 262 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide, 1 isopeptide (disulfide, isopeptide).
Compared structures
- 1U6G · Crystal Structure of The Cand1-Cul1-Roc1 Complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q13616 · AlphaFold monomer V2.0 prediction for cullin-1 (Q13616) · a predicted model of the same protein · chain A against A, TM-score 0.89
- Q86VP6 · AlphaFold monomer V2.0 prediction for cullin-associated NEDD8-dissociated protein 1… · a predicted model of the same protein · chain C against A, TM-score 0.85
- P62877 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase RBX1 (P62877) · a predicted model of the same protein · chain B against A, TM-score 0.77
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 Q13616
- Every structure of UniProt P62877
- Every structure of UniProt Q86VP6
- Elsewhere: RCSB PDB 1U6G · PDBe 1U6G · UniProt Q13616 · UniProt P62877 · UniProt Q86VP6
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