MolNFT v1 · #120186 · protein

Crystal structure determination of CYS2ALA mutant of bile salt hydrolase from enterococcus feacalis

5GS7 · Choloylglycine hydrolase: “Crystal structure determination of CYS2ALA mutant of bile salt hydrolase from enterococcus feacalis”. X-ray diffraction, 9 pockets (best druggability 0.77). MolNFT v1 #120186 on GenesisL1: 3D structure…

PDB: 5GS7
Type: protein
Length: 646 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Choloylglycine hydrolase
EC: 3.5.1.24
UniProt: Q8KUA7
Pockets: 9 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Choloylglycine hydrolase (EC 3.5.1.24)	protein	323	19% helix, 33% strand	Q8KUA7

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	282	0.77	0.89	32	empty
2	315	0.75	0.86	34	empty
3	101	0.44	0.78	21	empty
4	78	0.44	0.81	18	empty
5	62	0.42	0.82	19	empty

Interfaces

1 interface between chains.

A–B · 3187 Å² buried · 60 hydrogen bonds · protein-protein

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 Q8KUA7
Elsewhere: RCSB PDB 5GS7 · PDBe 5GS7 · UniProt Q8KUA7

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