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The crystal structure of C185S mutant of recombinant sulfite oxidase with bound substrate, sulfite, at the active site

Analyse The crystal structure of C185S mutant of recombinant sulfite oxidase with bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3HBP
Type: protein
Length: 373 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sulfite oxidase mutant C185S
Ligands: MTE, MOM, SO3
Pockets: 3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sulfite oxidase mutant C185S	protein	373	11% helix, 36% strand	—

Ligands and binding sites

MTE · Phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8A,9,10,10A-hexahydro-4H-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester · ligand · chains A
MOM · Hydroxy(dioxo)molybdenum · ligand · chains A
SO3 · Sulfite ion · ion · 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	85	0.76	0.98	23	MTE, MOM
2	54	0.45	0.84	21	empty
3	74	0.38	0.78	16	SO3

Compared structures

3HBP · The crystal structure of C185S mutant of recombinant sulfite oxidase with bound… · 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
Elsewhere: RCSB PDB 3HBP · PDBe 3HBP

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