MolNFT v1 · #83782 · protein

New crystal form of a hyperthermophilic endocellulase

3WT3 · Endoglucanase a: “New crystal form of a hyperthermophilic endocellulase”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.65). MolNFT v1 #83782 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3WT3
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 0.65

Structure

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

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

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A, B
GOL · Glycerol · additive · 14 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	80	0.65	0.92	18	empty
2	384	0.61	0.77	56	GOL
3	260	0.60	0.79	32	GOL
4	76	0.37	0.77	18	GOL
5	50	0.36	0.79	12	GOL

Interfaces

1 interface between chains.

A–B · 357 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

3WT3 · New crystal form of a hyperthermophilic endocellulase · 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 3WT3 · PDBe 3WT3 · UniProt Q9V2T0

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