Receptor
PDB id Resolution Class Description Source Keywords
2Z8E 1.99 Å NON-ENZYME: TRANSPORT THE GALACTO-N-BIOSE-/LACTO-N-BIOSE I-BINDING PROTEIN (GL-BP) ABC TRANSPORTER FROM BIFIDOBACTERIUM LONGUM IN COMPLEX WITHN -BIOSE BIFIDOBACTERIUM LONGUM ABC TRANSPORTER MUCIN CORE-1 HUMAN MILK OLIGOSACCHALIDE SBINDING PROTEIN
Ref.: STRUCTURAL AND THERMODYNAMIC ANALYSES OF SOLUTE-BIN PROTEIN FROM BIFIDOBACTERIUM LONGUM SPECIFIC FOR CO DISACCHARIDE AND LACTO-N-BIOSE I. J.BIOL.CHEM. V. 283 13165 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MES A:11;
B:12;
 Invalid;
Invalid;
 none;
none;
 submit data
195.237 C6 H13 N O4 S C1COC...
NGA GAL C:1;
D:1;
 Valid;
Valid;
 none;
none;
 Ka = 97400000 M^-1
n/a n/a
ZN A:3;
A:4;
B:3;
B:4;
B:5;
B:6;
B:7;
 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;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Z8E 1.99 Å NON-ENZYME: TRANSPORT THE GALACTO-N-BIOSE-/LACTO-N-BIOSE I-BINDING PROTEIN (GL-BP) ABC TRANSPORTER FROM BIFIDOBACTERIUM LONGUM IN COMPLEX WITHN -BIOSE BIFIDOBACTERIUM LONGUM ABC TRANSPORTER MUCIN CORE-1 HUMAN MILK OLIGOSACCHALIDE SBINDING PROTEIN
Ref.: STRUCTURAL AND THERMODYNAMIC ANALYSES OF SOLUTE-BIN PROTEIN FROM BIFIDOBACTERIUM LONGUM SPECIFIC FOR CO DISACCHARIDE AND LACTO-N-BIOSE I. J.BIOL.CHEM. V. 283 13165 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 2Z8F Kd = 11 uM BGC GAL NAG GAL n/a n/a
2 2Z8E Ka = 97400000 M^-1 NGA GAL n/a n/a
3 2Z8D Kd = 86.9 nM NAG GAL 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 2Z8F Kd = 11 uM BGC GAL NAG GAL n/a n/a
2 2Z8E Ka = 97400000 M^-1 NGA GAL n/a n/a
3 2Z8D Kd = 86.9 nM NAG GAL 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 2Z8F Kd = 11 uM BGC GAL NAG GAL n/a n/a
2 2Z8E Ka = 97400000 M^-1 NGA GAL n/a n/a
3 2Z8D Kd = 86.9 nM NAG GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NGA GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NGA GAL; Similar ligands found: 33
No: Ligand Similarity coefficient
1 NGA GAL 1.0000
2 A2G GAL 0.9798
3 MGC GAL 0.9539
4 NOK GAL 0.9463
5 GAL NOK 0.9463
6 NAG GAL 0.9460
7 NGA GCD 0.9412
8 LOG GAL 0.9410
9 NAG GAD 0.9259
10 NAG GCD 0.9259
11 NAG GC4 0.9197
12 NDG GAD 0.9187
13 NAG BDP 0.9133
14 BGC GAL 0.8996
15 GAL NGT 0.8989
16 NGT GAL 0.8989
17 MBG GAL 0.8960
18 GLC GAL 0.8910
19 GAL GLA 0.8845
20 GAL GAL 0.8844
21 NDG GAL 0.8805
22 NGA NAG 0.8800
23 FRU GAL 0.8776
24 BGC BGC 0.8747
25 NOY BGC 0.8729
26 BMA GAL 0.8712
27 IFM BMA 0.8660
28 PA1 GCS 0.8651
29 4WS GAL 0.8600
30 BMA BMA 0.8588
31 YIO GAL 0.8576
32 NG6 GCD 0.8531
33 GAL NAG 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Z8E; Ligand: NGA GAL; 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: 2z8e.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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