MolNFT v1 · #47349 · protein

Endoglucanase I complexed with cellobiose

2OVW: “Endoglucanase I complexed with cellobiose”. X-ray diffraction, 2 ligands (BGC, NAG), 6 pockets (best druggability 0.70). MolNFT v1 #47349 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2OVW
Type: protein
Length: 1,592 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endoglucanase I
EC: 3.2.1.4
UniProt: P46237
Ligands: BGC, NAG
Pockets: 6 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Endoglucanase I (EC 3.2.1.4)	protein	398	17% helix, 35% strand	P46237

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 8 copies · chains A, B, C, D
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	574	0.70	0.79	64	BGC
2	563	0.69	0.79	65	BGC
3	573	0.69	0.78	66	BGC
4	545	0.69	0.79	66	BGC
5	710	0.67	0.75	60	empty

Interfaces

3 interfaces between chains.

A–C · 190 Å² buried · 1 hydrogen bond · protein-protein
B–C · 123 Å² buried · 0 hydrogen bonds · protein-protein
B–D · 51 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 36 disulfide, 8 glycan, 4 modified (disulfide, N-glycosylation, cyclization).

Compared structures

2OVW · Endoglucanase I complexed with cellobiose · the same entry in another collection · chain A against A, TM-score 1.00
P46237 · AlphaFold monomer V2.0 prediction for endoglucanase type C (P46237) · a predicted model of the same protein · 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 P46237
Elsewhere: RCSB PDB 2OVW · PDBe 2OVW · UniProt P46237

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