MolNFT v1 · #88135 · protein
Crystal structure of human soluble adenylyl cyclase with pyrophosphate
4CLS · Adenylate cyclase type 10: “Crystal structure of human soluble adenylyl cyclase with pyrophosphate”. X-ray diffraction, 3 ligands (POP, MG, CL), 6 pockets (best druggability 0.76). MolNFT v1 #88135 on GenesisL1: 3D structure…
- PDB
- 4CLS
- Type
- protein
- Length
- 459 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
- 6 · best druggability 0.76
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 | 459 | 38% helix, 29% strand | Q96PN6 |
Ligands and binding sites
- POP · Pyrophosphate 2- · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 2 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
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 215 | 0.76 | 0.91 | 31 | EDO |
| 2 | 381 | 0.76 | 0.86 | 47 | MG, CL, POP, ACT |
| 3 | 186 | 0.62 | 0.83 | 30 | GOL |
| 4 | 152 | 0.44 | 0.75 | 24 | empty |
| 5 | 54 | 0.37 | 0.80 | 17 | EDO |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 4CLS · 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 4CLS · PDBe 4CLS · UniProt Q96PN6
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