Receptor
PDB id Resolution Class Description Source Keywords
5G62 1.99 Å NON-ENZYME: TRANSPORT S.PNEUMONIAE ABC-TRANSPORTER SUBSTRATE BINDING PROTEIN FUSA MUTANT IN COMPLEX WITH FRUCTO-NYSTOSE STREPTOCOCCUS PNEUMONIAE TRANSPORT PROTEIN FUSA SUBSTRATE-BINDING-PROTEIN ABC-TRANTRANSPORTER FRUCTOOLIGOSACCHARIDES KESTOSE NYSTOSE FRUCNYSTOSE CARBOHYDRATE SUGAR TRANSPORT PNEUMONIAE
Ref.: STRUCTURAL BASIS FOR REGULATION AND SPECIFICITY OF FRUCTOOLIGOSACCHARIDE IMPORT IN STREPTOCOCCUS PNEUM STRUCTURE V. 25 79 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:545;
A:545;
A:546;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
ZEE UEA FRU FRU FRU C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
828.72 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5G61 2.4 Å NON-ENZYME: TRANSPORT S.PNEUMONIAE ABC-TRANSPORTER SUBSTRATE BINDING PROTEIN FUSA WITH FRUCTO-NYSTOSE STREPTOCOCCUS PNEUMONIAE TRANSPORT PROTEIN FUSA SUBSTRATE-BINDING-PROTEIN ABC-TRANTRANSPORTER FRUCTOOLIGOSACCHARIDES KESTOSE NYSTOSE FRUCNYSTOSE CARBOHYDRATE SUGAR TRANSPORT PNEUMONIAE
Ref.: STRUCTURAL BASIS FOR REGULATION AND SPECIFICITY OF FRUCTOOLIGOSACCHARIDE IMPORT IN STREPTOCOCCUS PNEUM STRUCTURE V. 25 79 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 5G62 - ZEE UEA FRU FRU FRU n/a n/a
2 5G60 - GLC FRU FRU FRU n/a n/a
3 5G61 Kd = 0.4 uM ZEE UEA FRU FRU FRU n/a n/a
4 5G5Z Kd = 2.2 uM GLC FRU FRU 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 197 families.
1 5G62 - ZEE UEA FRU FRU FRU n/a n/a
2 5G60 - GLC FRU FRU FRU n/a n/a
3 5G61 Kd = 0.4 uM ZEE UEA FRU FRU FRU n/a n/a
4 5G5Z Kd = 2.2 uM GLC FRU FRU 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 165 families.
1 5G62 - ZEE UEA FRU FRU FRU n/a n/a
2 5G60 - GLC FRU FRU FRU n/a n/a
3 5G61 Kd = 0.4 uM ZEE UEA FRU FRU FRU n/a n/a
4 5G5Z Kd = 2.2 uM GLC FRU FRU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ZEE UEA FRU FRU FRU; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 ZEE UEA FRU FRU FRU 1 1
2 GLC FRU FRU FRU 1 1
3 GLC FRU FRU 0.527778 1
4 GLC FRU 0.492958 0.921053
5 FRU GLC GLA 0.486842 0.947368
6 GLC FRU GLA GLA GLA 0.480519 0.947368
7 GLC FRU GLA GLA 0.480519 0.947368
8 FRU FRU FRU FRU FRU FRU 0.45679 0.853659
9 FRU FRU 0.4 0.897436
10 GLC GLC FRU 0.4 0.973684
11 GLC FRU GLA 0.4 0.897436
Similar Ligands (3D)
Ligand no: 1; Ligand: ZEE UEA FRU FRU FRU; 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 : 5G61; Ligand: ZEE UEA FRU FRU FRU; 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: 5g61.bio4) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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