Receptor
PDB id Resolution Class Description Source Keywords
2CDP 1.59 Å EC: 3.-.-.- STRUCTURE OF A CBM6 IN COMPLEX WITH NEOAGAROHEXAOSE SACCHAROPHAGUS DEGRADANS CARBOHYDRATE-BINDING MODULE HYDROLASE
Ref.: FAMILY 6 CARBOHYDRATE BINDING MODULES IN BETA-AGARA DISPLAY EXQUISITE SELECTIVITY FOR THE NON- REDUCING OF AGAROSE CHAINS. J.BIOL.CHEM. V. 281 17099 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1139;
A:1140;
B:1139;
B:1140;
C:1139;
C:1140;
D:1139;
D:1140;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
CL A:1142;
A:1143;
A:1144;
B:1142;
B:1143;
B:1144;
C:1142;
C:1143;
D:1141;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
EDO A:1141;
B:1141;
C:1141;
D:1142;
D:1143;
D:1144;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
GAL AAL GAL AAL GAL AAL H:1;
E:1;
G:1;
F:1;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Ka = 65000 M^-1
936.816 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CDP 1.59 Å EC: 3.-.-.- STRUCTURE OF A CBM6 IN COMPLEX WITH NEOAGAROHEXAOSE SACCHAROPHAGUS DEGRADANS CARBOHYDRATE-BINDING MODULE HYDROLASE
Ref.: FAMILY 6 CARBOHYDRATE BINDING MODULES IN BETA-AGARA DISPLAY EXQUISITE SELECTIVITY FOR THE NON- REDUCING OF AGAROSE CHAINS. J.BIOL.CHEM. V. 281 17099 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 2CDP Ka = 65000 M^-1 GAL AAL GAL AAL GAL AAL n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 2CDP Ka = 65000 M^-1 GAL AAL GAL AAL GAL AAL n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 2CDP Ka = 65000 M^-1 GAL AAL GAL AAL GAL AAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GAL AAL GAL AAL GAL AAL; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL AAL GAL AAL 1 1
2 GAL AAL GAL AAL GAL AAL 1 1
3 GAL AAL AAL GAL GAL AAL AAL GAL 0.769231 0.923077
4 47N 0.731343 1
5 GAL AAL 0.731343 1
6 G4S G4S 9RN DGS G4S 9RN 0.544554 0.672727
7 BGC BGC BGC 0.493333 0.891892
8 GLC BGC BGC BGC 0.493333 0.891892
9 BGC BGC BGC BGC BGC BGC BGC 0.493333 0.891892
10 BGC BGC BGC BGC BGC BGC 0.493333 0.891892
11 BGC BGC BGC BGC BGC 0.493333 0.891892
12 G4S 9RN G4S 9RN G4S 0.459184 0.636364
13 9RN G4S 9RN G4S 0.43 0.648148
14 GAL GLA 0.426667 0.891892
15 MAN MAN M6P 0.420455 0.717391
16 BGC BGC BGC BGC 0.41573 0.891892
17 G4S DGS G4S DGS 0.413462 0.654545
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL AAL GAL AAL GAL AAL; 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 : 2CDP; Ligand: GAL AAL GAL AAL GAL AAL; 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: 2cdp.bio4) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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