MolNFT v1 · #172334 · protein
MB_CRS6-15 bound to crsas-6_6HR
6ZZ8 · Centriole protein: “MB_CRS6-15 bound to crsas-6_6HR”. X-ray diffraction, 20 pockets (best druggability 0.70). MolNFT v1 #172334 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6ZZ8
- Type
- protein
- Length
- 1,818 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Centriole protein; Protein B
- UniProt
- A9CQL4, M1E1G6
- Pockets
- 20 · best druggability 0.70
Structure
x-ray diffraction · 8 distinct chains · 31% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Centriole protein | protein | 215 | 40% helix, 33% strand | A9CQL4 |
| B | Centriole protein | protein | 211 | 38% helix, 35% strand | A9CQL4 |
| C | Centriole protein | protein | 211 | 39% helix, 35% strand | A9CQL4 |
| D, F | Centriole protein | protein | 209 | 41% helix, 36% strand | A9CQL4 |
| E | Centriole protein | protein | 207 | 41% helix, 35% strand | A9CQL4 |
| G | Protein B | protein | 94 | 0% helix, 52% strand | M1E1G6 |
| H, I | Protein B | protein | 93 | 0% helix, 53% strand | M1E1G6 |
| J, K, L | Protein B | protein | 92 | 0% helix, 49% strand | M1E1G6 |
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 586 | 0.70 | 0.79 | 55 | empty |
| 2 | 438 | 0.64 | 0.77 | 46 | empty |
| 3 | 319 | 0.62 | 0.79 | 44 | empty |
| 4 | 275 | 0.61 | 0.79 | 32 | empty |
| 5 | 469 | 0.60 | 0.74 | 51 | empty |
Interfaces
14 interfaces between chains.
- A–B · 1960 Ų buried · 11 hydrogen bonds · protein-protein
- E–F · 1531 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 828 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 826 Ų buried · 11 hydrogen bonds · protein-protein
- F–L · 669 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6ZZ8 · MB_CRS6-15 bound to CrSAS-6_6HR · 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
- Every structure of UniProt A9CQL4
- Every structure of UniProt M1E1G6
- Elsewhere: RCSB PDB 6ZZ8 · PDBe 6ZZ8 · UniProt A9CQL4 · UniProt M1E1G6
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