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Crystal structure of an adenine deaminase

Analyse Crystal structure of an adenine deaminase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2ICS
Type: protein
Length: 368 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adenine deaminase
EC: 3.5.4.2
UniProt: Q837K0
Ligands: ADE, ZN
Pockets: 3 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenine deaminase (EC 3.5.4.2)	protein	368	26% helix, 30% strand	Q837K0

Ligands and binding sites

ADE · Adenine · ligand · chains A
ZN · Zinc ion · metal · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	171	0.50	0.78	28	ZN, ADE
2	130	0.43	0.76	19	empty
3	63	0.26	0.72	17	empty

Modifications

Observed in the structure: 8 modified (engineered, carboxylation).

Compared structures

2ICS · Crystal structure of an adenine deaminase · the same entry in another collection · chain A against A, TM-score 1.00
Q837K0 · AlphaFold monomer V2.0 prediction for deacetylase EF_0837 (Q837K0) · a predicted model of the same protein · 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 Q837K0
Elsewhere: RCSB PDB 2ICS · PDBe 2ICS · UniProt Q837K0

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