Research workbench
Human solac complexed with 4-(2-chlorophenyl)-3-methyl-1H-pyrazole
Analyse Human solac complexed with 4-(2-chlorophenyl)-3-methyl-1H-pyrazole in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4OYO
- 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
- 1WC, ACE
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylate cyclase type 10 (EC 4.6.1.1) | protein | 468 | 37% helix, 27% strand | Q96PN6 |
Ligands and binding sites
- 1WC · 4-(2-chlorophenyl)-5-methyl-1H-pyrazole · ligand · 3 copies · chains A
- ACE · Acetyl group · ligand · chains A
- GOL · Glycerol · additive · 2 copies · 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 | 534 | 0.77 | 0.84 | 53 | 1WC |
| 2 | 276 | 0.76 | 0.89 | 39 | GOL |
| 3 | 199 | 0.64 | 0.84 | 32 | empty |
| 4 | 51 | 0.49 | 0.86 | 18 | empty |
| 5 | 144 | 0.44 | 0.76 | 25 | empty |
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, artifact).
Compared structures
- 4OYO · Human solAC Complexed with 4-(2-Chlorophenyl)-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 4OYO · PDBe 4OYO · UniProt Q96PN6
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