Receptor
PDB id Resolution Class Description Source Keywords
2XON 1.4 Å NON-ENZYME: BINDING STRUCTURE OF TMCBM61 IN COMPLEX WITH BETA-1,4-GALACTOTRIOSE RESOLUTION THERMOTOGA MARITIMA HYDROLASE GALACTAN CARBOHYDRATE-BINDING MODULE GLYCOSIDE HYDROLASE BETA-SANDWICH.
Ref.: RECOGNITION OF THE HELICAL STRUCTURE OF BETA-1,4-GA A NEW FAMILY OF CARBOHYDRATE-BINDING MODULES. J.BIOL.CHEM. V. 285 35999 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1166;
L:1170;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
EDO A:1168;
A:1169;
A:1170;
A:1171;
A:1172;
A:1173;
A:1174;
A:1175;
A:1176;
A:1177;
A:1178;
A:1179;
A:1183;
A:1184;
A:1185;
L:1172;
L:1173;
L:1174;
L:1175;
L:1176;
L:1177;
L:1178;
L:1179;
L:1180;
L:1181;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
GAL GAL GAL C:1;
B:1;
 Valid;
Valid;
 none;
none;
 Ka = 100000 M^-1
n/a n/a
SO4 A:1167;
L:1171;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XOM 0.95 Å NON-ENZYME: BINDING ATOMIC RESOLUTION STRUCTURE OF TMCBM61 IN COMPLEX WITH BETA- GALACTOTRIOSE THERMOTOGA MARITIMA HYDROLASE GALACTAN CARBOHYDRATE-BINDING MODULE GLYCOSIDE HYDROLASE BETA-SANDWICH.
Ref.: RECOGNITION OF THE HELICAL STRUCTURE OF BETA-1,4-GA A NEW FAMILY OF CARBOHYDRATE-BINDING MODULES. J.BIOL.CHEM. V. 285 35999 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2XOM Ka = 100000 M^-1 GAL GAL GAL n/a n/a
2 2XON Ka = 100000 M^-1 GAL GAL GAL n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2XOM Ka = 100000 M^-1 GAL GAL GAL n/a n/a
2 2XON Ka = 100000 M^-1 GAL GAL GAL n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2XOM Ka = 100000 M^-1 GAL GAL GAL n/a n/a
2 2XON Ka = 100000 M^-1 GAL GAL GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GAL GAL GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL GAL GAL; Similar ligands found: 5
No: Ligand Similarity coefficient
1 GAL GAL GAL 1.0000
2 BGC BGC BGC 0.9033
3 GS1 GS1 BGC 0.8928
4 GLC GLC GLC 0.8638
5 BGC GLC GLC 0.8613
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XOM; Ligand: GAL GAL GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2xom.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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