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
543.363 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: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 ADA ADA ADA ADA ADA 1 1
2 ADA ADA ADA ADA ADA ADA 1 1
3 ADA ADA ADA ADA 1 1
4 ADA ADA ADA 1 1
5 GTR ADA ADA 1 1
6 ADA ADA 0.918367 0.966667
7 ADA M8C M8C M8C ADA ADA 0.816667 0.909091
8 ADA M8C M8C M8C M8C ADA 0.783333 0.909091
9 ADA ADA ADA ADA ADA M8C 0.75 0.9375
10 ADA ADA ADA ADA ADA SHB 0.75 0.9375
11 ADA ADA ADA ADA M8C M8C 0.692308 0.909091
12 M8C ADA ADA ADA ADA M8C 0.661538 0.909091
13 RAM GTR RAM GTR RAM GTR 0.651515 0.9375
14 LGU MAV BEM 0.650794 0.909091
15 M8C ADA ADA ADA M8C M8C 0.641791 0.909091
16 MAW MAV GCU 0.594203 0.9375
17 BEM MAV LGU MAV 0.594203 0.9375
18 MAW LGU BEM BEM 0.594203 0.9375
19 MAW BEM BEM BEM 0.594203 0.9375
20 TGU 0.564516 0.933333
21 AD0 0.55 0.933333
22 BEM MAV 0.463768 0.90625
23 NAG BDP 0.438356 0.604167
24 GCU XYP 0.411765 0.736842
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: 6
This union binding pocket(no: 1) in the query (biounit: 5amv.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3R4S SLB 0.01767 0.42361 3.7594
2 5DG2 GAL GLC 0.01006 0.43841 5.18518
3 1A78 TDG 0.01567 0.417 6.71642
4 5H9Q TD2 0.03488 0.40137 7.09677
5 3WV6 GAL GLC 0.006855 0.44989 8.10811
6 3OYW TDG 0.005349 0.44345 11.194
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