Receptor
PDB id Resolution Class Description Source Keywords
1RWC 1.9 Å EC: 4.2.2.5 CRYSTAL STRUCTURE OF ARTHROBACTER AURESCENS CHONDROITIN AC L ARTHROBACTER AURESCENS CHONDROITIN LYASE CHONDROITINASE HYALURONAN LYASE
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURE OF ARTHROBACTER A CHONDROITIN AC LYASE: AN ENZYME-SUBSTRATE COMPLEX D THE CATALYTIC MECHANISM J.MOL.BIOL. V. 337 367 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:801;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
NA A:900;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
NAG GAD B:1;
 Valid;
 none;
 submit data
378.31 n/a O=C(N...
PO4 A:850;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RWH 1.25 Å EC: 4.2.2.5 CRYSTAL STRUCTURE OF ARTHROBACTER AURESCENS CHONDROITIN AC L COMPLEX WITH CHONDROITIN TETRASACCHARIDE ARTHROBACTER AURESCENS CHONDROITINASE CHONDROITIN CHONDROITIN LYASE LYASE
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURE OF ARTHROBACTER A CHONDROITIN AC LYASE: AN ENZYME-SUBSTRATE COMPLEX D THE CATALYTIC MECHANISM J.MOL.BIOL. V. 337 367 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1RWH - ASG GCT ASG GAD n/a n/a
2 1RWF - ASG GCT ASG GAD n/a n/a
3 1RWC - NAG GAD n/a n/a
4 1RWG - ASG GCT ASG GAD 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 2 families.
1 1RWH - ASG GCT ASG GAD n/a n/a
2 1RWF - ASG GCT ASG GAD n/a n/a
3 1RWC - NAG GAD n/a n/a
4 1RWG - ASG GCT ASG GAD n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2WDA - ASG GCD n/a n/a
2 2WCO - NAG GC4 n/a n/a
3 1RWH - ASG GCT ASG GAD n/a n/a
4 1RWF - ASG GCT ASG GAD n/a n/a
5 1RWC - NAG GAD n/a n/a
6 1RWG - ASG GCT ASG GAD n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG GAD; Similar ligands found: 26
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAD 1 1
2 NG6 GCD 0.746667 0.75
3 ASG GCD 0.692308 0.734375
4 8EX GCD 0.607143 0.707692
5 A2G GAL 0.577465 0.88
6 NAG BDP 0.552632 0.959184
7 NAG FUC 0.540541 0.88
8 A2G NAG 0.533333 0.865385
9 NDG GCD 0.53012 0.921569
10 ASG BDP ASG GCD 0.529412 0.701493
11 NAG GC4 0.525 0.92
12 BGC RAM BGC GAD 0.494624 0.76
13 RAM GAD 0.486842 0.632653
14 NAG GAL FUC 0.470588 0.862745
15 NAG BDP NAG BDP 0.464646 0.924528
16 LGU MAW 0.461538 0.632653
17 NAG BDP NAG BDP NAG BDP 0.460784 0.942308
18 NAG BDP NAG BDP NAG BDP NAG 0.442105 0.903846
19 NAG GAL GLC NAG GLC RAM 0.44086 0.865385
20 A2G GAL NAG 0.438202 0.865385
21 AMU 0.434211 0.84
22 1GN ACY GAL 1GN BGC ACY GAL BGC 0.43299 0.865385
23 GTR RAM AQA 0.426966 0.653061
24 GCU MAV MAW 0.413793 0.62
25 MAV LGU MAV BEM 0.413793 0.62
26 GNS UAP 0.402174 0.661765
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG GAD; Similar ligands found: 14
No: Ligand Similarity coefficient
1 NAG GCD 0.9650
2 NAG GAL 0.9574
3 NGA GCD 0.9479
4 NDG GAD 0.9403
5 NGA GAL 0.9259
6 LOG GAL 0.8972
7 GAL NOK 0.8951
8 NOK GAL 0.8951
9 BGC BGC 0.8883
10 GLC GAL 0.8880
11 BGC GAL 0.8875
12 GCS GCS 0.8762
13 SHG BGC 0.8719
14 NOY BGC 0.8651
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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