MolNFT v1 · #83686 · protein

New crystal form of the hyperthermophilic family 12 endo-cellulase from pyrococcus furiosus

3WQ7 · Endoglucanase a: “New crystal form of the hyperthermophilic family 12 endo-cellulase from pyrococcus furiosus”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.61). MolNFT v1 #83686 on GenesisL1: 3D structure…

PDB: 3WQ7
Type: protein
Length: 540 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endoglucanase a
EC: 3.2.1.4
UniProt: Q9V2T0
Ligands: CA
Pockets: 5 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 55% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Endoglucanase a (EC 3.2.1.4)	protein	270	7% helix, 55% strand	Q9V2T0

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A, B
GOL · Glycerol · additive · 16 copies · chains A, B

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

Pockets

5 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	239	0.61	0.80	30	GOL
2	251	0.59	0.79	32	empty
3	72	0.49	0.84	20	GOL, CA
4	78	0.40	0.79	17	GOL
5	76	0.35	0.75	18	empty

Interfaces

1 interface between chains.

A–B · 448 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

3WQ7 · New crystal form of the hyperthermophilic family 12 endo-cellulase from Pyrococcus… · 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 3WQ7 · PDBe 3WQ7 · UniProt Q9V2T0

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