MolNFT v1 · #57906 · protein

Crystal structures of thermotoga maritima CEL5A in complex with cellobiose substrate, mutant form

3AMG · Endoglucanase: “Crystal structures of thermotoga maritima CEL5A in complex with cellobiose substrate, mutant form”. X-ray diffraction, 1 ligand (BGC), 4 pockets (best druggability 0.81). MolNFT v1 #57906 on GenesisL1: 3D structure…

PDB: 3AMG
Type: protein
Length: 602 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endoglucanase
EC: 3.2.1.4
UniProt: Q9X273
Ligands: BGC
Pockets: 4 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Endoglucanase (EC 3.2.1.4)	protein	311	41% helix, 14% strand	Q9X273
B	Endoglucanase (EC 3.2.1.4)	protein	291	37% helix, 14% strand	Q9X273

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 3 copies · chains B, A

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

Pockets

4 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	1010	0.81	0.83	91	BGC
2	76	0.48	0.82	14	empty
3	121	0.47	0.79	15	empty
4	81	0.34	0.75	18	empty

Interfaces

1 interface between chains.

A–B · 684 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

3AMG · Crystal structures of Thermotoga maritima Cel5A in complex with Cellobiose substrate… · 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 Q9X273
Elsewhere: RCSB PDB 3AMG · PDBe 3AMG · UniProt Q9X273

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