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Receptor
PDB id Resolution Class Description Source Keywords
5AMV 1.57 Å EC: 4.2.2.2 STRUCTURAL INSIGHTS INTO THE LOSS OF CATALYTIC COMPETENCE IN LYASE AT LOW PH BACILLUS SUBTILIS LYASE PECTATE LYASE BACILLUS SUBTILLIS CATALYTIC ACTIVITY
Ref.: STRUCTURAL INSIGHTS INTO THE LOSS OF CATALYTIC COMP PECTATE LYASE ACTIVITY AT LOW PH. FEBS LETT. V. 589 3242 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:401;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
ACT A:402;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GOL A:403;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ADA ADA ADA A:404;
Valid;
none;
submit data
527.364 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AMV 1.57 Å EC: 4.2.2.2 STRUCTURAL INSIGHTS INTO THE LOSS OF CATALYTIC COMPETENCE IN LYASE AT LOW PH BACILLUS SUBTILIS LYASE PECTATE LYASE BACILLUS SUBTILLIS CATALYTIC ACTIVITY
Ref.: STRUCTURAL INSIGHTS INTO THE LOSS OF CATALYTIC COMP PECTATE LYASE ACTIVITY AT LOW PH. FEBS LETT. V. 589 3242 2015
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2O0V - ADA ADA ADA ADA ADA n/a n/a
2 2O1D - ADA ADA ADA n/a n/a
3 3KRG - ADA ADA ADA ADA ADA ADA n/a n/a
4 2NZM - ADA ADA ADA ADA ADA n/a n/a
5 2O04 - ADA ADA n/a n/a
6 2O17 - ADA ADA ADA ADA ADA n/a n/a
7 5AMV - ADA ADA ADA n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2O0V - ADA ADA ADA ADA ADA n/a n/a
2 2O1D - ADA ADA ADA n/a n/a
3 3KRG - ADA ADA ADA ADA ADA ADA n/a n/a
4 2NZM - ADA ADA ADA ADA ADA n/a n/a
5 2O04 - ADA ADA n/a n/a
6 2O17 - ADA ADA ADA ADA ADA n/a n/a
7 5AMV - ADA ADA ADA n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2O0V - ADA ADA ADA ADA ADA n/a n/a
2 2O1D - ADA ADA ADA n/a n/a
3 3KRG - ADA ADA ADA ADA ADA ADA n/a n/a
4 2NZM - ADA ADA ADA ADA ADA n/a n/a
5 2O04 - ADA ADA n/a n/a
6 2O17 - ADA ADA ADA ADA ADA n/a n/a
7 5AMV - ADA ADA ADA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADA ADA ADA; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 ADA ADA ADA 1 1
2 ADA ADA ADA ADA ADA ADA 0.625 0.857143
3 ADA ADA ADA ADA ADA 0.625 0.857143
4 GTR ADA ADA 0.625 0.857143
5 ADA ADA ADA ADA 0.625 0.857143
6 ADA ADA 0.5625 0.828571
7 RAM ADA RAM 0.472973 0.72973
8 GCU XYP 0.457143 0.868421
9 LGU MAV BEM 0.447368 0.942857
10 RAM GTR RAM GTR RAM GTR 0.4375 0.810811
11 GCV XYP XYP 0.402299 0.868421
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AMV; Ligand: ADA ADA ADA; Similar sites found with APoc: 19
This union binding pocket(no: 1) in the query (biounit: 5amv.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4LIT AKG 2.25564
2 5X7Q ACR 3.00752
3 4ZDM GLY 3.44828
4 4UDK BMA 3.50877
5 3R4S SLB 3.7594
6 5GLT BGC GAL NAG GAL 3.87324
7 3M3E GAL A2G NPO 4.34783
8 5H9P TD2 4.43038
9 5NFB 8VT 4.54545
10 6EWZ APC 4.64135
11 5DG2 GAL GLC 5.18518
12 1SLT NDG GAL 5.22388
13 3WUD GLC GAL 5.88235
14 1A78 TDG 6.71642
15 5H9Q TD2 7.09677
16 1TW4 CHD 8
17 3WV6 GAL GLC 8.10811
18 4YLZ LAT NAG GAL 9.15033
19 3OYW TDG 11.194
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