Receptor
PDB id Resolution Class Description Source Keywords
3CK9 2.2 Å NON-ENZYME: OTHER B. THETAIOTAOMICRON SUSD WITH MALTOHEPTAOSE BACTEROIDES THETAIOTAOMICRON TPR REPEAT CARBOHYDRATE BINDING STARCH BINDING SUGAR BINDPROTEIN
Ref.: STARCH CATABOLISM BY A PROMINENT HUMAN GUT SYMBIONT DIRECTED BY THE RECOGNITION OF AMYLOSE HELICES. STRUCTURE V. 16 1105 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:600;
A:710;
B:700;
B:720;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
EDO A:730;
A:731;
A:736;
A:737;
A:747;
B:732;
B:733;
B:734;
B:741;
B:742;
B:744;
B:748;
B:749;
 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;
 submit data
62.068 C2 H6 O2 C(CO)...
GLC GLC GLC GLC GLC GLC D:1;
 Valid;
 none;
 submit data
972.846 n/a OCC1O...
GLC GLC GLC GLC GLC GLC GLC C:1;
 Valid;
 none;
 submit data
1134.99 n/a OCC1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CK8 2.1 Å NON-ENZYME: OTHER B. THETAIOTAOMICRON SUSD WITH BETA-CYCLODEXTRIN BACTEROIDES THETAIOTAOMICRON TPR REPEAT CARBOHYDRATE BINDING STARCH BINDING SUGAR BINDPROTEIN
Ref.: STARCH CATABOLISM BY A PROMINENT HUMAN GUT SYMBIONT DIRECTED BY THE RECOGNITION OF AMYLOSE HELICES. STRUCTURE V. 16 1105 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3CK8 - GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 3CK7 - GLC GLC GLC GLC GLC GLC n/a n/a
3 3CKB - GLC GLC GLC n/a n/a
4 3CK9 - GLC GLC GLC GLC GLC GLC 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 1331 families.
1 3CK8 - GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 3CK7 - GLC GLC GLC GLC GLC GLC n/a n/a
3 3CKB - GLC GLC GLC n/a n/a
4 3CK9 - GLC GLC GLC GLC GLC GLC n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3CK8 - GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 3CK7 - GLC GLC GLC GLC GLC GLC n/a n/a
3 3CKB - GLC GLC GLC n/a n/a
4 3CK9 - GLC GLC GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC 1 1
3 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC 0.510638 0.939394
Ligand no: 2; Ligand: GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC 1 1
3 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC 0.510638 0.939394
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC; Similar ligands found: 4
No: Ligand Similarity coefficient
1 BGC BGC BGC BGC BGC BGC 0.9686
2 GLC AC1 GLC AC1 0.9208
3 BGC AC1 GLC AC1 0.9117
4 BGC G6D GLC ACI GLD ACI 0.8960
Ligand no: 2; Ligand: GLC GLC GLC GLC GLC GLC 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 : 3CK8; Ligand: GLC GLC GLC GLC GLC GLC GLC; 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: 3ck8.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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