MolNFT v1 · #158866 · protein
Crystal structure of CSM6 H381A in complex with CA4 by cocrystallization of CA4 and CSM6
6O6Z: “Crystal structure of CSM6 H381A in complex with CA4 by cocrystallization of CA4 and CSM6”. X-ray diffraction, 1 ligand (LQJ), 9 pockets (best druggability 0.84). MolNFT v1 #158866 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6O6Z
- Type
- protein
- Length
- 861 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CSM6
- UniProt
- B6YWC3
- Ligands
- LQJ
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CSM6 | protein | 431 | 47% helix, 20% strand | B6YWC3 |
| B | CSM6 | protein | 430 | 47% helix, 21% strand | B6YWC3 |
Ligands and binding sites
- LQJ · 3'-O-[(R)-{[(2s,3as,4s,6s,6as)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy) phosphoryl]adenosine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1158 | 0.84 | 0.85 | 80 | empty |
| 2 | 1126 | 0.77 | 0.79 | 67 | LQJ |
| 3 | 391 | 0.61 | 0.77 | 42 | empty |
| 4 | 137 | 0.51 | 0.79 | 28 | empty |
| 5 | 127 | 0.50 | 0.79 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 2248 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6O6Z · Crystal structure of Csm6 H381A in complex with cA4 by cocrystallization of cA4 and Csm6 · 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 B6YWC3
- Elsewhere: RCSB PDB 6O6Z · PDBe 6O6Z · UniProt B6YWC3
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