Receptor
PDB id Resolution Class Description Source Keywords
5CQH 1.73 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE CANCER GENOMIC DNA MUTATOR APOBEC3B HOMO SAPIENS APOBEC DEAMINASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE DNA DEAMINASE APOBEC3B CAT DOMAIN. J.BIOL.CHEM. V. 290 28120 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:403;
Invalid;
none;
submit data
35.453 Cl [Cl-]
EDO A:404;
A:405;
A:406;
A:407;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ZN A:401;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
DC A:402;
Valid;
none;
submit data
307.197 C9 H14 N3 O7 P C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CQH 1.73 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE CANCER GENOMIC DNA MUTATOR APOBEC3B HOMO SAPIENS APOBEC DEAMINASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE DNA DEAMINASE APOBEC3B CAT DOMAIN. J.BIOL.CHEM. V. 290 28120 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5CQH - DC C9 H14 N3 O7 P C1[C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5CQH - DC C9 H14 N3 O7 P C1[C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5CQH - DC C9 H14 N3 O7 P C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DC; Similar ligands found: 48
No: Ligand ECFP6 Tc MDL keys Tc
1 DCM 1 1
2 DC 1 1
3 YYY 0.80597 0.985714
4 DCP 0.760563 0.985714
5 LDC 0.693548 0.833333
6 DCZ 0.693548 0.833333
7 DCP MG 0.693333 0.917808
8 DU 0.561644 0.928571
9 UMP 0.561644 0.928571
10 CAR 0.540541 0.902778
11 DOC 0.540541 0.971429
12 C 0.540541 0.902778
13 C5P 0.540541 0.902778
14 DDN 0.527027 0.928571
15 TMP 0.506494 0.890411
16 BRU 0.506494 0.866667
17 UFP 0.493506 0.866667
18 5HU 0.487179 0.878378
19 5IU 0.481013 0.866667
20 CPA 0.480769 0.860759
21 BVP 0.464286 0.878378
22 CDP 0.463415 0.890411
23 DUD 0.451219 0.915493
24 CGP 0.449541 0.851852
25 C2P 0.448718 0.902778
26 C3P 0.448718 0.888889
27 DG DC 0.448276 0.8625
28 CTP 0.447059 0.890411
29 8OG 0.44186 0.873418
30 GCQ 0.44186 0.878378
31 LTT 0.438356 0.780822
32 UC5 0.433735 0.902778
33 3TC 0.432432 0.77027
34 DC DG 0.432432 0.829268
35 DUT 0.430233 0.915493
36 7XL 0.426966 0.866667
37 DUP 0.425287 0.890411
38 CTN 0.424658 0.756757
39 AR3 0.424658 0.756757
40 DUN 0.423529 0.890411
41 DC DG DA DC 0.414062 0.839506
42 UMC 0.4125 0.875
43 CXY 0.412371 0.866667
44 GEO 0.407895 0.76
45 QBT 0.407407 0.863014
46 CDP MG 0.406977 0.828947
47 TYD 0.406977 0.878378
48 I5A 0.4 0.743243
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CQH; Ligand: DC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5cqh.bio1) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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