MolNFT v1 · #83947 · protein

Structure of hyperthermophilic family 12 endocellulase (E197A) from pyrococcus furiosus in complex with laminaribiose

3WY6 · Endoglucanase a: “Structure of hyperthermophilic family 12 endocellulase (E197A) from pyrococcus furiosus in complex with…”. X-ray diffraction, 2 ligands (BGC, CA), 2 pockets (best druggability 0.58). MolNFT v1 #83947 on GenesisL1…

PDB: 3WY6
Type: protein
Length: 270 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endoglucanase a
EC: 3.2.1.4
UniProt: Q9V2T0
Ligands: BGC, CA
Pockets: 2 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 55% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Endoglucanase a (EC 3.2.1.4)	protein	270	6% helix, 55% strand	Q9V2T0

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 3 copies · chains A
CA · Calcium ion · metal · 2 copies · chains A
GOL · Glycerol · additive · 8 copies · chains A
NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · 4 copies · chains A

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	238	0.58	0.78	28	BGC, GOL
2	58	0.39	0.80	12	NHE

Compared structures

3WY6 · Structure of hyperthermophilic family 12 endocellulase (E197A) from Pyrococcus furiosus… · 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 Q9V2T0
Elsewhere: RCSB PDB 3WY6 · PDBe 3WY6 · UniProt Q9V2T0

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