Receptor
PDB id Resolution Class Description Source Keywords
4LCN 1.8 Å EC: 7.-.-.- CRYTSAL STRUCTURE OF NE0047 IN COMPLEX WITH 2'-DEOXY-GUANOSI NITROSOMONAS EUROPAEA CDA FOLD DEAMINASE HYDROLASE
Ref.: STRUCTURAL BASIS OF THE SUBSTRATE SPECIFICITY OF CY DEAMINASE SUPERFAMILY GUANINE DEAMINASE BIOCHEMISTRY V. 52 8106 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:201;
B:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
EDO B:203;
B:202;
A:203;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GNG A:202;
Valid;
none;
Ka = 91000 M^-1
267.241 C10 H13 N5 O4 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LCN 1.8 Å EC: 7.-.-.- CRYTSAL STRUCTURE OF NE0047 IN COMPLEX WITH 2'-DEOXY-GUANOSI NITROSOMONAS EUROPAEA CDA FOLD DEAMINASE HYDROLASE
Ref.: STRUCTURAL BASIS OF THE SUBSTRATE SPECIFICITY OF CY DEAMINASE SUPERFAMILY GUANINE DEAMINASE BIOCHEMISTRY V. 52 8106 2013
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 4LD2 Ka = 43000 M^-1 CTN C9 H13 N3 O5 C1=CN(C(=O....
2 4LC5 - 9MG C6 H7 N5 O Cn1cnc2c1n....
3 4HRQ - AZG C4 H4 N6 O c12c(nc(nc....
4 4LCP - 6AP C5 H6 N6 c1[nH]c2c(....
5 4LCN Ka = 91000 M^-1 GNG C10 H13 N5 O4 c1nc2c(n1[....
6 4HRW - AZG C4 H4 N6 O c12c(nc(nc....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4LD2 Ka = 43000 M^-1 CTN C9 H13 N3 O5 C1=CN(C(=O....
2 4LC5 - 9MG C6 H7 N5 O Cn1cnc2c1n....
3 4HRQ - AZG C4 H4 N6 O c12c(nc(nc....
4 4LCP - 6AP C5 H6 N6 c1[nH]c2c(....
5 4LCN Ka = 91000 M^-1 GNG C10 H13 N5 O4 c1nc2c(n1[....
6 4HRW - AZG C4 H4 N6 O c12c(nc(nc....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 4LD2 Ka = 43000 M^-1 CTN C9 H13 N3 O5 C1=CN(C(=O....
2 4LC5 - 9MG C6 H7 N5 O Cn1cnc2c1n....
3 4HRQ - AZG C4 H4 N6 O c12c(nc(nc....
4 4LCP - 6AP C5 H6 N6 c1[nH]c2c(....
5 4LCN Ka = 91000 M^-1 GNG C10 H13 N5 O4 c1nc2c(n1[....
6 4HRW - AZG C4 H4 N6 O c12c(nc(nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GNG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GNG 1 1
2 6CG 0.470588 0.777778
3 G2Q 0.447917 0.860759
4 C1Z 0.438776 0.833333
5 EXX 0.407895 0.746667
6 3D1 0.402597 0.873239
7 3L1 0.402597 0.873239
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LCN; Ligand: GNG; 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: 4lcn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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