MolNFT v1 · #102855 · protein

Human solac complexed with 1-benzofuran-2-carboxylic acid

4OYP · Adenylate cyclase type 10: “Human solac complexed with 1-benzofuran-2-carboxylic acid”. X-ray diffraction, 3 ligands (ACE, BZ2, CL), 5 pockets (best druggability 0.77). MolNFT v1 #102855 on GenesisL1: 3D structure, binding sites and…

PDB: 4OYP
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, BZ2, CL
Pockets: 5 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenylate cyclase type 10 (EC 4.6.1.1)	protein	468	36% helix, 27% strand	Q96PN6

Ligands and binding sites

ACE · Acetyl group · ligand · chains A
BZ2 · 1-benzofuran-2-carboxylic acid · ligand · chains A
CL · Chloride ion · ion · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	247	0.77	0.90	33	empty
2	341	0.72	0.84	44	CL, BZ2
3	195	0.65	0.84	34	empty
4	148	0.43	0.75	22	empty
5	82	0.35	0.75	18	empty

Modifications

Observed in the structure: 1 covalent, 1 modified (covalent ligand, artifact).

Compared structures

4OYP · Human solAC Complexed with 1-Benzofuran-2-carboxylic acid · 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 4OYP · PDBe 4OYP · UniProt Q96PN6

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