Receptor
PDB id Resolution Class Description Source Keywords
4ZS9 1.37 Å NON-ENZYME: TRANSPORT RAFFINOSE AND PANOSE BINDING PROTEIN FROM BIFIDOBACTERIUM AN SUBSP. LACTIS BL-04, BOUND WITH RAFFINOSE BIFIDOBACTERIUM ANIMALIS SUBSP. LACTISORGANISM_TAXID: 580050 RAFFINOSE ABC TRANSPORTER COMPLEX TRANSPORT PROTEIN
Ref.: AN ATP BINDING CASSETTE TRANSPORTER MEDIATES THE UP ALPHA-(1,6)-LINKED DIETARY OLIGOSACCHARIDES IN BIFIDOBACTERIUM AND CORRELATES WITH COMPETITIVE GRO THESE SUBSTRATES. J. BIOL. CHEM. V. 291 20220 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:510;
A:509;
A:510;
B:511;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
MG A:506;
B:506;
B:503;
A:504;
B:505;
B:509;
B:508;
B:504;
B:507;
A:502;
B:502;
A:507;
A:505;
A:503;
A:508;
Invalid;
Invalid;
Invalid;
Invalid;
Part of Protein;
Invalid;
Invalid;
Invalid;
Invalid;
Part of Protein;
Part of Protein;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
FRU GLC GLA C:1;
D:1;
Valid;
Valid;
none;
none;
Kd = 27 uM
504.438 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZZE 1.76 Å NON-ENZYME: TRANSPORT RAFFINOSE AND PANOSE BINDING PROTEIN FROM BIFIDOBACTERIUM AN SUBSP. LACTIS BL-04, BOUND WITH PANOSE BIFIDOBACTERIUM ANIMALIS SUBSP. LACTISORGANISM_TAXID: 580050 PANOSE ABC TRANSPORTER COMPLEX TRANSPORT PROTEIN
Ref.: AN ATP BINDING CASSETTE TRANSPORTER MEDIATES THE UP ALPHA-(1,6)-LINKED DIETARY OLIGOSACCHARIDES IN BIFIDOBACTERIUM AND CORRELATES WITH COMPETITIVE GRO THESE SUBSTRATES. J. BIOL. CHEM. V. 291 20220 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 4ZZA - FRU GLC GLA n/a n/a
2 4ZS9 Kd = 27 uM FRU GLC GLA n/a n/a
3 4ZZE Kd = 9 uM GLC GLC GLC n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 4ZZA - FRU GLC GLA n/a n/a
2 4ZS9 Kd = 27 uM FRU GLC GLA n/a n/a
3 4ZZE Kd = 9 uM GLC GLC GLC n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 4ZZA - FRU GLC GLA n/a n/a
2 4ZS9 Kd = 27 uM FRU GLC GLA n/a n/a
3 4ZZE Kd = 9 uM GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FRU GLC GLA; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU GLC GLA 1 1
2 GLC FRU GLA GLA GLA 0.982456 1
3 GLC FRU GLA GLA 0.982456 1
4 GLC FRU GLA 0.710145 0.947368
5 GLC FRU FRU 0.651515 0.947368
6 Z9N GLC 0.537313 0.947368
7 MMA MAN 0.53125 0.846154
8 BGC GLC GLC GLC GLC GLC 0.523077 0.891892
9 BGC GLC GLC GLC GLC 0.523077 0.891892
10 GLC FRU 0.5 0.921053
11 ZEE UEA FRU FRU FRU 0.486842 0.947368
12 GLC FRU FRU FRU 0.486842 0.947368
13 BGC GLC GLC 0.472973 0.891892
14 BGC GLC GLC GLC 0.448718 0.891892
15 GLC GLC GLC GLC GLC 0.448718 0.891892
16 AHR AHR AHR AHR AHR AHR 0.439394 0.864865
17 AHR AHR AHR AHR 0.439394 0.864865
18 AHR AHR AHR AHR AHR 0.439394 0.864865
19 AHR AHR 0.4375 0.864865
20 GLC GLC GLC 0.435897 0.846154
21 BMA MAN MAN 0.426667 0.891892
22 BGC BGC BGC BGC 0.419753 0.891892
23 MMA MAN MAN 0.415584 0.846154
24 GLC GLC FRU 0.404762 0.973684
25 H1M MAN MAN 0.402439 0.785714
Similar Ligands (3D)
Ligand no: 1; Ligand: FRU GLC GLA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GLA GLC FRU 0.9325
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZZE; Ligand: 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: 4zze.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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