MolNFT v1 · #88137 · protein
Crystal structure of human soluble adenylyl cyclase with pyrophosphate
4CLU · Adenylate cyclase type 10: “Crystal structure of human soluble adenylyl cyclase with pyrophosphate”. X-ray diffraction, 3 ligands (POP, MG, CL), 5 pockets (best druggability 0.74). MolNFT v1 #88137 on GenesisL1: 3D structure…
- PDB
- 4CLU
- 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
- POP, MG, CL
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylate cyclase type 10 (EC 4.6.1.1) | protein | 460 | 39% helix, 29% strand | Q96PN6 |
Ligands and binding sites
- POP · Pyrophosphate 2- · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
- GOL · Glycerol · additive · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.74 | 0.88 | 33 | CL, EDO |
| 2 | 452 | 0.74 | 0.83 | 62 | CL, POP, MG, ACT |
| 3 | 161 | 0.68 | 0.87 | 27 | empty |
| 4 | 209 | 0.48 | 0.75 | 26 | empty |
| 5 | 62 | 0.35 | 0.78 | 18 | GOL, EDO |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 4CLU · Crystal structure of human soluble Adenylyl Cyclase with pyrophosphate · 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 4CLU · PDBe 4CLU · UniProt Q96PN6
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