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Crystal structure of adenine deaminase with MN/FE

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

PDB: 3T8L
Type: protein
Length: 1,174 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adenine deaminase 2
EC: 3.5.4.2
UniProt: Q7CUX4
Ligands: UNX
Pockets: 10 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenine deaminase 2 (EC 3.5.4.2)	protein	587	30% helix, 27% strand	Q7CUX4
B	Adenine deaminase 2 (EC 3.5.4.2)	protein	587	29% helix, 22% strand	Q7CUX4

Ligands and binding sites

UNX · Unknown atom or ion · ion · 6 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1065	0.82	0.83	121	empty
2	526	0.77	0.84	65	empty
3	440	0.76	0.85	56	empty
4	147	0.51	0.79	31	empty
5	139	0.50	0.80	24	empty

Interfaces

1 interface between chains.

A–B · 2253 Å² buried · 32 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 modified (engineered).

Compared structures

3T8L · Crystal Structure of adenine deaminase with Mn/Fe · the same entry in another collection · chain A against A, TM-score 1.00
Q7CUX4 · AlphaFold monomer V2.0 prediction for adenine deaminase 2 (Q7CUX4) · a predicted model of the same protein · chain B 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 Q7CUX4
Elsewhere: RCSB PDB 3T8L · PDBe 3T8L · UniProt Q7CUX4

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