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 1579 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 1312 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 1130 families.
1 5CQH - DC C9 H14 N3 O7 P C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DC; Similar ligands found: 51
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 DCZ 0.693548 0.833333
6 LDC 0.693548 0.833333
7 DU 0.561644 0.928571
8 UMP 0.561644 0.928571
9 CAR 0.540541 0.902778
10 C5P 0.540541 0.902778
11 C 0.540541 0.902778
12 DOC 0.540541 0.971429
13 DDN 0.527027 0.928571
14 TMP 0.506494 0.890411
15 BRU 0.506494 0.866667
16 UFP 0.493506 0.866667
17 5HU 0.487179 0.878378
18 5IU 0.481013 0.866667
19 CPA 0.480769 0.860759
20 BVP 0.464286 0.878378
21 CDP 0.463415 0.890411
22 DCT 0.458824 0.957747
23 DUD 0.451219 0.915493
24 CGP 0.449541 0.851852
25 C3P 0.448718 0.888889
26 C2P 0.448718 0.902778
27 DG DC 0.448276 0.8625
28 CTP 0.447059 0.890411
29 HF4 0.447059 0.890411
30 GCQ 0.44186 0.878378
31 8OG 0.44186 0.873418
32 LTT 0.438356 0.780822
33 2TM 0.436782 0.905405
34 UC5 0.433735 0.902778
35 3TC 0.432432 0.77027
36 DC DG 0.432432 0.829268
37 DUT 0.430233 0.915493
38 0RC 0.426966 0.868421
39 7XL 0.426966 0.866667
40 GTF 0.426966 0.878378
41 DUP 0.425287 0.890411
42 AR3 0.424658 0.756757
43 CTN 0.424658 0.756757
44 DUN 0.423529 0.890411
45 DC DG DA DC 0.414062 0.839506
46 UMC 0.4125 0.875
47 CXY 0.412371 0.866667
48 GEO 0.407895 0.76
49 QBT 0.407407 0.863014
50 TYD 0.406977 0.878378
51 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 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: 5cqh.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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