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Crystal structure of GOX2181

Analyse Crystal structure of GOX2181 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3AWD
Type: protein
Length: 1,028 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative polyol dehydrogenase
UniProt: Q5FNX9
Ligands: MG, CD
Pockets: 14 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Putative polyol dehydrogenase	protein	257	49% helix, 16% strand	Q5FNX9

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B, C, D
CD · Cadmium ion · metal · 2 copies · chains B, C

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

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1065	0.85	0.86	52	empty
2	429	0.77	0.86	47	empty
3	559	0.76	0.83	51	empty
4	471	0.76	0.84	47	empty
5	485	0.76	0.84	45	empty

Interfaces

6 interfaces between chains.

B–C · 1887 Å² buried · 20 hydrogen bonds · protein-protein
A–D · 1880 Å² buried · 21 hydrogen bonds · protein-protein
B–D · 1563 Å² buried · 28 hydrogen bonds · protein-protein
A–C · 1547 Å² buried · 28 hydrogen bonds · protein-protein
C–D · 444 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3AWD · Crystal structure of gox2181 · 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 Q5FNX9
Elsewhere: RCSB PDB 3AWD · PDBe 3AWD · UniProt Q5FNX9

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