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 A:810;
Valid;
none;
submit data
378.31 n/a O=C([...
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 - GAD ASG ACT ASG n/a n/a
3 1RWC - NAG GAD n/a n/a
4 1RWG - GAD ASG GCT ASG 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 - GAD ASG ACT ASG n/a n/a
3 1RWC - NAG GAD n/a n/a
4 1RWG - GAD ASG GCT ASG 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 - L42 C14 H21 N O14 S CC(=O)N[C@....
2 2WCO - GC4 NAG n/a n/a
3 1RWH - ASG GCT ASG GAD n/a n/a
4 1RWF - GAD ASG ACT ASG n/a n/a
5 1RWC - NAG GAD n/a n/a
6 1RWG - GAD ASG GCT ASG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG GAD; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAD 1 1
2 NGA GCD 1 1
3 GCD NGA 1 1
4 GAD NDG 1 1
5 UCD 0.782609 0.979592
6 NG6 GCD 0.746667 0.761905
7 GCD NG6 0.746667 0.761905
8 NGK GCD 0.692308 0.746032
9 GCD ASG 0.692308 0.746032
10 GAL A2G 0.577465 0.88
11 A2G GAL 0.577465 0.88
12 GAL NGA 0.577465 0.88
13 NAG BDP 0.552632 0.959184
14 L42 0.547619 0.707692
15 FUC NAG 0.540541 0.88
16 HS2 0.5375 0.959184
17 NAG NGA 0.533333 0.865385
18 NAG A2G 0.533333 0.865385
19 ASG BDP ASG GCD 0.529412 0.723077
20 GAL NGA A2G 0.525641 0.849057
21 GC4 NAG 0.525 0.92
22 BGC RAM BGC GAD 0.494624 0.76
23 RAM GAD 0.486842 0.632653
24 DR3 0.470588 0.862745
25 NAG GAL FUC 0.470588 0.862745
26 NAG BDP NAG BDP 0.464646 0.924528
27 BEM MAV 0.461538 0.632653
28 NAG BDP NAG BDP NAG BDP 0.460784 0.942308
29 NAG GCU NAG GCU NAG GCU 5AX 0.442105 0.903846
30 NAG BDP NAG BDP NAG BDP NAG 0.442105 0.903846
31 AMU 0.434211 0.84
32 1GN ACY GAL ACY 1GN BGC GAL BGC 0.43299 0.865385
33 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.43299 0.865385
34 MAW BEM BEM BEM 0.413793 0.62
35 MAW MAV GCU 0.413793 0.62
36 BEM MAV LGU MAV 0.413793 0.62
37 MAW LGU BEM BEM 0.413793 0.62
38 H3S 0.402174 0.661765
Similar Binding Sites (Proteins are less than 50% similar to leader)
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