Receptor
PDB id Resolution Class Description Source Keywords
6INZ 2.29 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF SOLUTE-BINDING PROTEIN COMPLEXED WITH U HYALURONAN DISACCHARIDE STREPTOBACILLUS MONILIFORMIS DSM 12112ORGANISM_TAXID: 519441 GLYCOSAMINOGLYCAN ABC TRANSPORTER SOLUTE-BINDING PROTEIN BINDING PROTEIN
Ref.: SUBSTRATE RECOGNITION BY BACTERIAL SOLUTE-BINDING P RESPONSIBLE FOR IMPORT OF EXTRACELLULAR HYALURONAN CHONDROITIN SULFATE FROM THE ANIMAL HOST. BIOSCI.BIOTECHNOL.BIOCHEM. V. 83 1946 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:611;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
SO4 A:608;
A:604;
A:609;
A:605;
A:603;
A:607;
A:606;
A:610;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
NAG GCD B:1;
 Valid;
 none;
 Kd = 1.6 uM
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5GUB 1.78 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF SOLUTE-BINDING PROTEIN COMPLEXED WITH S GROUP-FREE UNSATURATED CHONDROITIN DISACCHARIDE STREPTOBACILLUS MONILIFORMIS STRAIN DSORGANISM_TAXID: 519441 GLYCOSAMINOGLYCAN ABC TRANSPORTER SOLUTE-BINDING PROTEIN BINDING PROTEIN
Ref.: A BACTERIAL ABC TRANSPORTER ENABLES IMPORT OF MAMMA GLYCOSAMINOGLYCANS SCI REP V. 7 1069 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 5XS8 - 8EX GCD n/a n/a
2 6INZ Kd = 1.6 uM NAG GCD n/a n/a
3 5GX7 Kd = 2.76 uM NG6 GCD n/a n/a
4 5GX6 Kd = 1.6 uM ASG GCD n/a n/a
5 5GUB Kd = 0.635 uM NGA GCD n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 5XS8 - 8EX GCD n/a n/a
2 6INZ Kd = 1.6 uM NAG GCD n/a n/a
3 5GX7 Kd = 2.76 uM NG6 GCD n/a n/a
4 5GX6 Kd = 1.6 uM ASG GCD n/a n/a
5 5GUB Kd = 0.635 uM NGA GCD n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1Y3P Kd = 15 uM MAV LGU MAV BEM n/a n/a
2 1Y3N Kd = 2.8 uM MAV BEM n/a n/a
3 1J1N - MAV LGU MAV BEM n/a n/a
4 5XS8 - 8EX GCD n/a n/a
5 6INZ Kd = 1.6 uM NAG GCD n/a n/a
6 5GX7 Kd = 2.76 uM NG6 GCD n/a n/a
7 5GX6 Kd = 1.6 uM ASG GCD n/a n/a
8 5GUB Kd = 0.635 uM NGA GCD n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG GCD; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG GCD; Similar ligands found: 32
No: Ligand Similarity coefficient
1 NAG GCD 1.0000
2 NGA GCD 0.9776
3 NAG GC4 0.9774
4 NAG GAD 0.9650
5 NDG GAD 0.9580
6 NAG GAL 0.9574
7 NAG BDP 0.9403
8 NGA GAL 0.9259
9 NOK GAL 0.9217
10 GAL NOK 0.9217
11 LOG GAL 0.9208
12 A2G GAL 0.9091
13 BGC Z9D 0.8917
14 NOY BGC 0.8905
15 BGC BGC 0.8883
16 GLC GAL 0.8880
17 BGC GAL 0.8875
18 GAL GC2 0.8875
19 GAL NGT 0.8865
20 GCS GCS 0.8827
21 SHG BGC 0.8825
22 GAL NGA 0.8802
23 NDG GCD 0.8793
24 IFM BGC 0.8770
25 MGC GAL 0.8764
26 4WS GAL 0.8714
27 NG6 GCD 0.8695
28 BGC OXZ 0.8656
29 ASG GCD 0.8654
30 SGC BGC 0.8617
31 NGA NAG 0.8576
32 ABL 0.8571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5GUB; Ligand: NGA GCD; 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: 5gub.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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