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Crystal structure of human soluble adenylyl cyclase with ATP

Analyse Crystal structure of human soluble adenylyl cyclase with ATP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4USW
Type: protein
Length: 458 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: ATP, NA
Pockets: 6 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenylate cyclase type 10 (EC 4.6.1.1)	protein	458	39% helix, 29% strand	Q96PN6

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · chains A
NA · Sodium ion · metal · chains A
ACT · Acetate ion · additive · 2 copies · chains A
GOL · Glycerol · additive · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	521	0.76	0.83	50	NA, ACT, ATP
2	202	0.74	0.89	28	ACT, GOL
3	153	0.67	0.88	25	empty
4	141	0.43	0.75	24	empty
5	59	0.42	0.82	14	empty

Modifications

Observed in the structure: 1 modified (artifact).

Compared structures

4USW · Crystal structure of human soluble Adenylyl Cyclase with ATP · 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 0.94

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 4USW · PDBe 4USW · UniProt Q96PN6

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