MolNFT v1 · #63099 · protein

Crystal structure of endoglucanase CEL9A from the thermoacidophilic alicyclobacillus acidocaldarius

3EZ8 · Cellulase: “Crystal structure of endoglucanase CEL9A from the thermoacidophilic alicyclobacillus acidocaldarius”. X-ray diffraction, 2 ligands (CA, ZN), 3 pockets (best druggability 0.65). MolNFT v1 #63099 on GenesisL1: 3D…

PDB: 3EZ8
Type: protein
Length: 528 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cellulase
EC: 3.2.1.4
UniProt: Q9AJS0
Ligands: CA, ZN
Pockets: 3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cellulase (EC 3.2.1.4)	protein	528	43% helix, 14% strand	Q9AJS0

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A
ZN · Zinc ion · metal · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A

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

Pockets

3 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	366	0.65	0.79	44	MPD
2	57	0.29	0.74	11	empty
3	52	0.25	0.73	14	empty

Compared structures

3EZ8 · Crystal Structure of endoglucanase Cel9A from the thermoacidophilic Alicyclobacillus… · 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 Q9AJS0
Elsewhere: RCSB PDB 3EZ8 · PDBe 3EZ8 · UniProt Q9AJS0

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