MolNFT v1 · #102852 · protein
Human solac complexed with (4-amino-furazan-3-yl)-(3-methoxy-phenyl)- methanone
4OYM · Adenylate cyclase type 10: “Human solac complexed with (4-amino-furazan-3-yl)-(3-methoxy-phenyl)- methanone”. X-ray diffraction, 2 ligands (ACE, 1ZC), 5 pockets (best druggability 0.78). MolNFT v1 #102852 on GenesisL1: 3D structure…
- PDB
- 4OYM
- 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, 1ZC
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylate cyclase type 10 (EC 4.6.1.1) | protein | 468 | 38% helix, 28% strand | Q96PN6 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A
- 1ZC · (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone · 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
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 | 207 | 0.78 | 0.92 | 31 | GOL |
| 2 | 444 | 0.73 | 0.83 | 56 | 1ZC |
| 3 | 186 | 0.65 | 0.85 | 29 | empty |
| 4 | 140 | 0.42 | 0.75 | 24 | empty |
| 5 | 61 | 0.30 | 0.75 | 18 | GOL |
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, artifact).
Compared structures
- 4OYM · Human solAC Complexed with (4-Amino-furazan-3-yl)-(3-methoxy-phenyl)-metha · 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 4OYM · PDBe 4OYM · UniProt Q96PN6
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