Receptor
PDB id Resolution Class Description Source Keywords
1UOZ 1.1 Å EC: 3.-.-.- STRUCTURE OF THE ENDOGLUCANASE CEL6 FROM MYCOBACTERIUM TUBER COMPLEX WITH THIOCELLOPENTAOSE AT 1.1 ANGSTROM MYCOBACTERIUM TUBERCULOSIS HYDROLASE GLYCOSIDE HYDROLASE FAMILY 6
Ref.: MYCOBACTERIUM TUBERCULOSIS STRAINS POSSESS FUNCTION CELLULASES. J.BIOL.CHEM. V. 280 20181 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:506;
A:508;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:509;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
SSG SGC SSG GLC B:1;
 Valid;
 none;
 submit data
552.639 n/a S(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UOZ 1.1 Å EC: 3.-.-.- STRUCTURE OF THE ENDOGLUCANASE CEL6 FROM MYCOBACTERIUM TUBER COMPLEX WITH THIOCELLOPENTAOSE AT 1.1 ANGSTROM MYCOBACTERIUM TUBERCULOSIS HYDROLASE GLYCOSIDE HYDROLASE FAMILY 6
Ref.: MYCOBACTERIUM TUBERCULOSIS STRAINS POSSESS FUNCTION CELLULASES. J.BIOL.CHEM. V. 280 20181 2005
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 1UP0 - BGC BGC n/a n/a
2 1UP3 - MGL SGC BGC BGC n/a n/a
3 1UOZ - SSG SGC SSG GLC n/a n/a
4 1UP2 - IFM BGC n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 1UP0 - BGC BGC n/a n/a
2 1UP3 - MGL SGC BGC BGC n/a n/a
3 1UOZ - SSG SGC SSG GLC n/a n/a
4 1UP2 - IFM BGC n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 2BOD - MGL SGC BGC BGC n/a n/a
2 2BOG - MGL SGC BGC BGC n/a n/a
3 2BOF - BGC BGC BGC BGC n/a n/a
4 1UP0 - BGC BGC n/a n/a
5 1UP3 - MGL SGC BGC BGC n/a n/a
6 1UOZ - SSG SGC SSG GLC n/a n/a
7 1UP2 - IFM BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SSG SGC SSG GLC; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SSG SGC SSG GLC 1 1
2 MA1 GLC 0.914894 1
3 SGC SGC BGC 0.642857 0.971429
4 GTM SGC SGC BGC 0.590164 0.894737
5 MA3 SGC SSG SSG BGC 0.590164 0.894737
6 SGC BGC 0.571429 0.971429
7 YIO GAL 0.5 1
8 MGL SGC SGC GLC 0.486486 0.894737
9 U2A BGC 0.460317 0.894737
10 YIO 0.44 0.882353
11 SGC BGC SGC BGC SGC BGC SGC BGC 0.44 0.944444
12 Z4R MAN 0.430769 0.894737
13 GS1 SGC BGC SGC 0.417722 0.944444
Similar Ligands (3D)
Ligand no: 1; Ligand: SSG SGC SSG GLC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UOZ; Ligand: SSG SGC SSG GLC; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1uoz.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4AVO BGC BGC BGC BGC BGC BGC 41.5873
2 4A05 BGC BGC 42.5397
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