MolNFT v1 · #158867 · protein
Crystal structure of CSM6 H132A mutant in complex with CA4 by cocrystallization of CA4 and CSM6 H132A mutant
6O70: “Crystal structure of CSM6 H132A mutant in complex with CA4 by cocrystallization of CA4 and CSM6 H132A mutant”. X-ray diffraction, 2 ligands (ACK, LQJ), 9 pockets (best druggability 0.87). MolNFT v1 #158867 on GenesisL1: 3D…
- PDB
- 6O70
- Type
- protein
- Length
- 865 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CSM6
- UniProt
- B6YWC3
- Ligands
- ACK, LQJ
- Pockets
- 9 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CSM6 | protein | 433 | 47% helix, 20% strand | B6YWC3 |
| B | CSM6 | protein | 432 | 47% helix, 21% strand | B6YWC3 |
Ligands and binding sites
- ACK · 2',3'- cyclic AMP · ligand · 2 copies · chains A, B
- 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1055 | 0.87 | 0.88 | 80 | empty |
| 2 | 1024 | 0.74 | 0.77 | 76 | LQJ |
| 3 | 348 | 0.59 | 0.76 | 41 | ACK |
| 4 | 141 | 0.45 | 0.77 | 28 | empty |
| 5 | 137 | 0.41 | 0.74 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 2316 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 6O70 · Crystal structure of Csm6 H132A mutant in complex with cA4 by cocrystallization of cA4… · 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 6O70 · PDBe 6O70 · UniProt B6YWC3
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