Receptor
PDB id Resolution Class Description Source Keywords
2CDO 1.64 Å EC: 3.-.-.- STRUCTURE OF AGARASE CARBOHYDRATE BINDING MODULE IN COMPLEX WITH NEOAGAROHEXAOSE SACCHAROPHAGUS DEGRADANS CARBOHYDRATE-BINDING MODULE HYDROLASE
Ref.: FAMILY 6 CARBOHYDRATE BINDING MODULES IN BETA-AGARASES DISPLAY EXQUISITE SELECTIVITY FOR THE NON- REDUCING TERMINI 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:1141;
A:1142;
A:1143;
B:1143;
B:1144;
C:1142;
C:1143;
C:1144;
D:1141;
D:1142;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
EDO B:1141;
B:1142;
B:1145;
C:1141;
C:1145;
C:1146;
D:1143;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GAL AAL GAL AAL GAL AAL A:1001;
B:1001;
C:1001;
D:1001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
936.816 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CDO 1.64 Å EC: 3.-.-.- STRUCTURE OF AGARASE CARBOHYDRATE BINDING MODULE IN COMPLEX WITH NEOAGAROHEXAOSE SACCHAROPHAGUS DEGRADANS CARBOHYDRATE-BINDING MODULE HYDROLASE
Ref.: FAMILY 6 CARBOHYDRATE BINDING MODULES IN BETA-AGARASES DISPLAY EXQUISITE SELECTIVITY FOR THE NON- REDUCING TERMINI 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 283 families.
1 2CDO - 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 235 families.
1 2CDO - 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 193 families.
1 2CDO - GAL AAL GAL AAL GAL AAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL AAL GAL AAL GAL AAL; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL AAL GAL AAL GAL AAL 1 1
2 AAL GAL AAL GAL 1 1
3 AAL GAL AAL GLA 1 1
4 AAL GAL 0.731343 1
5 47N 0.731343 1
6 AAL GAL AAL GAL AAL GAL AAL 0.728395 0.9
7 G4S 9RN G4S DGS G4S 9RN 0.544554 0.672727
8 BGC BGC BGC GLC BGC BGC 0.493333 0.891892
9 GLC GLC BGC 0.493333 0.891892
10 GLC GLC GLC 0.493333 0.891892
11 BGC BGC BGC BGC BGC BGC 0.493333 0.891892
12 GLC GLC GLC GLC 0.493333 0.891892
13 GLC BGC BGC BGC BGC BGC BGC 0.493333 0.891892
14 G4S 9RN G4S 9RN G4S 0.459184 0.636364
15 P3M 0.435294 0.702128
16 9RN G4S 9RN G4S 0.43 0.648148
17 GLC BGC 0.426667 0.891892
18 MAN GLC 0.426667 0.891892
19 NGR 0.426667 0.891892
20 LB2 0.426667 0.891892
21 GLA GAL 0.426667 0.891892
22 GLA GLA 0.426667 0.891892
23 GLC GLC 0.426667 0.891892
24 M3M 0.426667 0.891892
25 DGS G4S DGS G4S 0.413462 0.654545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CDO; 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: 2cdo.bio4) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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