Research workbench

Catalytic S88C mutant of gut microbial sulfatase from bacteroides fragilis CAG:558

Analyse Catalytic S88C mutant of gut microbial sulfatase from bacteroides fragilis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6USS
Type: protein
Length: 970 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sulfatase
UniProt: A0A081TVR9
Ligands: CA
Pockets: 6 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Sulfatase	protein	485	29% helix, 18% strand	A0A081TVR9

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	940	0.70	0.75	74	empty
2	324	0.55	0.76	39	empty
3	114	0.51	0.81	26	empty
4	138	0.50	0.79	20	empty
5	84	0.34	0.75	18	empty

Interfaces

1 interface between chains.

A–B · 944 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

6USS · Catalytic S88C mutant of gut microbial sulfatase from Bacteroides fragilis CAG:558 · 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 A0A081TVR9
Elsewhere: RCSB PDB 6USS · PDBe 6USS · UniProt A0A081TVR9

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