MolNFT v1 · #88127 · protein
Crystal structure of human soluble adenylyl cyclase in complex with ALPHA,BETA-methyleneadenosine-5'-triphosphate
4CLK · Adenylate cyclase type 10: “Crystal structure of human soluble adenylyl cyclase in complex with…”. X-ray diffraction, 3 ligands (APC, CA, CL), 7 pockets (best druggability 0.78). MolNFT v1 #88127 on GenesisL1: 3D structure, binding…
- PDB
- 4CLK
- Type
- protein
- Length
- 460 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylate cyclase type 10
- EC
- 4.6.1.1
- UniProt
- Q96PN6
- Ligands
- APC, CA, CL
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylate cyclase type 10 (EC 4.6.1.1) | protein | 460 | 37% helix, 29% strand | Q96PN6 |
Ligands and binding sites
- APC · Diphosphomethylphosphonic acid adenosyl ester · ligand · chains A
- CA · Calcium ion · metal · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 216 | 0.78 | 0.92 | 30 | EDO |
| 2 | 302 | 0.71 | 0.84 | 32 | APC, CA |
| 3 | 63 | 0.70 | 0.96 | 17 | CL |
| 4 | 164 | 0.64 | 0.85 | 29 | empty |
| 5 | 144 | 0.44 | 0.76 | 24 | empty |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 4CLK · Crystal structure of human soluble Adenylyl Cyclase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q96PN6 · AlphaFold monomer V2.0 prediction for adenylate cyclase type 10 (Q96PN6) · 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 Q96PN6
- Elsewhere: RCSB PDB 4CLK · PDBe 4CLK · UniProt Q96PN6
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