MolNFT v1 · #72188 · protein

Product complex of adenylate cyclase class IV

3N10 · Adenylate cyclase 2: “Product complex of adenylate cyclase class IV”. X-ray diffraction, 3 ligands (CMP, MN, SO4), 3 pockets (best druggability 0.75). MolNFT v1 #72188 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3N10
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: CMP, MN, SO4
Pockets: 3 · best druggability 0.75

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

CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 2 copies · chains A, B
MN · Manganese (II) ion · metal · 3 copies · chains A, B
SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

3 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	463	0.75	0.84	57	CMP, MN, SO4
2	554	0.75	0.82	56	CMP, MN, SO4
3	55	0.29	0.75	13	empty

Interfaces

1 interface between chains.

A–B · 1071 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

3N10 · Product complex of adenylate cyclase class IV · 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 3N10 · PDBe 3N10 · UniProt Q7CH76

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