Research workbench
Human soluble adenylyl cyclase in complex with the inhibitor TDI10229
Analyse Human soluble adenylyl cyclase in complex with the inhibitor TDI10229 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7OVD
- Type
- protein
- Length
- 449 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
- 1S2
- Pockets
- 7 · best druggability 0.77
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 | 449 | 38% helix, 29% strand | Q96PN6 |
Ligands and binding sites
- 1S2 · 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine · ligand · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A
- ACT · Acetate ion · additive · 4 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 4 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 501 | 0.77 | 0.85 | 50 | 1S2, ACT |
| 2 | 230 | 0.75 | 0.89 | 31 | ACT, EDO |
| 3 | 159 | 0.66 | 0.86 | 30 | EDO |
| 4 | 55 | 0.49 | 0.85 | 17 | empty |
| 5 | 159 | 0.46 | 0.76 | 23 | empty |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 7OVD · Human soluble adenylyl cyclase in complex with the inhibitor TDI10229 · 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 0.96
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 7OVD · PDBe 7OVD · UniProt Q96PN6
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