MolNFT v1 · #88139 · protein
Crystal structure of human soluble adenylyl cyclase in complex with ALPHA,BETA-methyleneadenosine-5'-triphosphate soaked with bisulfite
4CLW · Adenylate cyclase type 10: “Crystal structure of human soluble adenylyl cyclase in complex with…”. X-ray diffraction, 3 ligands (APC, CA, SO3), 8 pockets (best druggability 0.75). MolNFT v1 #88139 on GenesisL1: 3D structure, binding…
- PDB
- 4CLW
- Type
- protein
- Length
- 458 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, SO3
- Pockets
- 8 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylate cyclase type 10 (EC 4.6.1.1) | protein | 458 | 38% helix, 29% strand | Q96PN6 |
Ligands and binding sites
- APC · Diphosphomethylphosphonic acid adenosyl ester · ligand · chains A
- CA · Calcium ion · metal · chains A
- SO3 · Sulfite ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 249 | 0.75 | 0.89 | 31 | PEG, EDO |
| 2 | 319 | 0.71 | 0.84 | 35 | APC, CA |
| 3 | 58 | 0.70 | 0.97 | 17 | SO3 |
| 4 | 161 | 0.66 | 0.86 | 26 | empty |
| 5 | 60 | 0.46 | 0.83 | 12 | empty |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 4CLW · 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 4CLW · PDBe 4CLW · UniProt Q96PN6
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