MolNFT v1 · #90501 · protein

The unliganded structure of C.BESCII cela GH48 module

4EL8 · Glycoside hydrolase family 48: “The unliganded structure of C.BESCII cela GH48 module”. X-ray diffraction, 2 ligands (CA, SO4), 1 pocket (best druggability 0.86). MolNFT v1 #90501 on GenesisL1: 3D structure, binding sites and…

PDB: 4EL8
Type: protein
Length: 621 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glycoside hydrolase family 48
UniProt: B9MKU7
Ligands: CA, SO4
Pockets: 1 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glycoside hydrolase family 48	protein	621	41% helix, 16% strand	B9MKU7

Ligands and binding sites

CA · Calcium ion · metal · chains A
SO4 · Sulfate ion · ion · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1100	0.86	0.87	109	EDO

Compared structures

4EL8 · The unliganded structure of C.bescii CelA GH48 module · 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 B9MKU7
Elsewhere: RCSB PDB 4EL8 · PDBe 4EL8 · UniProt B9MKU7

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