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1.7 a crystal structure of methionine-R-sulfoxide reductase from burkholderia pseudomallei: crystallization in a microfluidic crystal card.

Analyse 1.7 a crystal structure of methionine-R-sulfoxide reductase from burkholderia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3CXK
Type: protein
Length: 262 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methionine-R-sulfoxide reductase
EC: 1.8.4.-
UniProt: Q3JRF0
Ligands: ZN
Pockets: 2 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Methionine-R-sulfoxide reductase (EC 1.8.4.-)	protein	131	19% helix, 30% strand	Q3JRF0

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B
ACT · Acetate ion · additive · 2 copies · chains A, B

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

Pockets

2 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	313	0.59	0.77	39	ACT
2	63	0.27	0.73	16	empty

Interfaces

1 interface between chains.

A–B · 353 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3CXK · 1.7 A Crystal structure of methionine-R-sulfoxide reductase from Burkholderia… · the same entry in another collection · chain A against A, TM-score 1.00
Q3JRF0 · AlphaFold monomer V2.0 prediction for peptide methionine sulfoxide reductase msrb (Q3JRF0) · a predicted model of the same protein · chain A against A, TM-score 0.99

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Every structure of UniProt Q3JRF0
Elsewhere: RCSB PDB 3CXK · PDBe 3CXK · UniProt Q3JRF0

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