MolNFT v1 · #102868 · protein
Human solac complexed with 4-(4-fluorophenyl)-3-methyl-1H-pyrazole
4OZ2 · Adenylate cyclase type 10: “Human solac complexed with 4-(4-fluorophenyl)-3-methyl-1H-pyrazole”. X-ray diffraction, 3 ligands (ACE, 1Z6, CL), 5 pockets (best druggability 0.79). MolNFT v1 #102868 on GenesisL1: 3D structure, binding…
- PDB
- 4OZ2
- Type
- protein
- Length
- 468 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
- ACE, 1Z6, CL
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylate cyclase type 10 (EC 4.6.1.1) | protein | 468 | 35% helix, 27% strand | Q96PN6 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A
- 1Z6 · 4-(4-fluorophenyl)-3-methyl-1H-pyrazole · ligand · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 3 copies · 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 | 575 | 0.79 | 0.85 | 51 | 1Z6, GOL, CL |
| 2 | 232 | 0.76 | 0.90 | 33 | GOL |
| 3 | 183 | 0.66 | 0.85 | 30 | empty |
| 4 | 150 | 0.43 | 0.75 | 23 | empty |
| 5 | 82 | 0.33 | 0.75 | 18 | GOL |
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, artifact).
Compared structures
- 4OZ2 · Human solAC Complexed with 4-(4-Fluorophenyl)-3-methyl-1H-pyrazole · 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 4OZ2 · PDBe 4OZ2 · UniProt Q96PN6
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