MolNFT v1 · #121271 · protein

A glycoside hydrolase family 97 enzyme R171K variant from pseudoalteromonas sp. strain K8

5HQC: “A glycoside hydrolase family 97 enzyme R171K variant from pseudoalteromonas sp. strain K8”. X-ray diffraction, 4 ligands (MG, CA, CL), 6 pockets (best druggability 0.76). MolNFT v1 #121271 on GenesisL1: 3D structure, binding sites…

PDB: 5HQC
Type: protein
Length: 662 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glycoside hydrolase family 97 enzyme
Ligands: MG, CA, CL, UNX
Pockets: 6 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 18% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glycoside hydrolase family 97 enzyme	protein	662	18% helix, 37% strand	—

Ligands and binding sites

MG · Magnesium ion · metal · chains A
CA · Calcium ion · metal · chains A
CL · Chloride ion · ion · chains A
UNX · Unknown atom or ion · ion · chains A
GOL · Glycerol · additive · 5 copies · chains A
FMT · Formic acid · additive · chains A

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	110	0.76	0.96	28	empty
2	203	0.61	0.82	26	empty
3	118	0.54	0.82	28	empty
4	82	0.37	0.77	17	empty
5	117	0.37	0.74	19	empty

Compared structures

5HQC · A Glycoside Hydrolase Family 97 enzyme R171K variant from Pseudoalteromonas sp. strain K8 · 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 5HQC · PDBe 5HQC

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