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Adenylate cyclase class IV with active site ligand apc

Analyse Adenylate cyclase class IV with active site ligand apc in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3N0Y
Type: protein
Length: 352 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adenylate cyclase 2
EC: 4.6.1.1
UniProt: Q7CH76
Ligands: APC, MN
Pockets: 2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Adenylate cyclase 2 (EC 4.6.1.1)	protein	176	28% helix, 44% strand	Q7CH76

Ligands and binding sites

APC · Diphosphomethylphosphonic acid adenosyl ester · ligand · 2 copies · chains A, B
MN · Manganese (II) ion · metal · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	487	0.77	0.85	53	APC, MN
2	585	0.76	0.83	54	APC, MN

Interfaces

1 interface between chains.

A–B · 1067 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

3N0Y · Adenylate cyclase class IV with active site ligand APC · the same entry in another collection · chain A against A, TM-score 1.00

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 Q7CH76
Elsewhere: RCSB PDB 3N0Y · PDBe 3N0Y · UniProt Q7CH76

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