Receptor
PDB id Resolution Class Description Source Keywords
5CQH 1.73 Å EC: 3.5.4.- 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 EC: 3.5.4.- 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 1 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 1 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 1 families.
1 5CQH - DC C9 H14 N3 O7 P C1[C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DC; Similar ligands found: 52
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 0KX 0.75 0.958333
6 DCP MG 0.702703 0.957143
7 DCZ 0.693548 0.833333
8 LDC 0.693548 0.833333
9 5CM 0.608108 0.958333
10 DU 0.561644 0.928571
11 UMP 0.561644 0.928571
12 C5P 0.540541 0.902778
13 CAR 0.540541 0.902778
14 DOC 0.540541 0.971429
15 C 0.540541 0.902778
16 DDN 0.527027 0.928571
17 BRU 0.506494 0.866667
18 TMP 0.506494 0.890411
19 UFP 0.493506 0.866667
20 5HU 0.487179 0.878378
21 5IU 0.481013 0.866667
22 CPA 0.480769 0.860759
23 BVP 0.464286 0.878378
24 CDP 0.463415 0.890411
25 DCT 0.458824 0.957747
26 DUD 0.451219 0.915493
27 CGP 0.449541 0.851852
28 C3P 0.448718 0.888889
29 C2P 0.448718 0.902778
30 CTP 0.447059 0.890411
31 HF4 0.447059 0.890411
32 GCQ 0.44186 0.878378
33 8OG 0.44186 0.873418
34 LTT 0.438356 0.780822
35 2TM 0.436782 0.905405
36 UC5 0.433735 0.902778
37 3TC 0.432432 0.77027
38 DUT 0.430233 0.915493
39 GTF 0.426966 0.878378
40 0RC 0.426966 0.868421
41 7XL 0.426966 0.866667
42 DUP 0.425287 0.890411
43 CTN 0.424658 0.756757
44 AR3 0.424658 0.756757
45 DUN 0.423529 0.890411
46 UMC 0.4125 0.875
47 CXY 0.412371 0.866667
48 CDP MG 0.411765 0.863014
49 GEO 0.407895 0.76
50 QBT 0.407407 0.863014
51 TYD 0.406977 0.878378
52 I5A 0.4 0.743243
Similar Ligands (3D)
Ligand no: 1; Ligand: DC; Similar ligands found: 73
No: Ligand Similarity coefficient
1 PSU 0.9728
2 U5P 0.9664
3 UP6 0.9650
4 FN5 0.9584
5 U 0.9577
6 BMP 0.9541
7 CH 0.9529
8 H2U 0.9489
9 DUS 0.9471
10 NUP 0.9406
11 BMQ 0.9396
12 NYM 0.9372
13 5FU 0.9355
14 5BU 0.9348
15 16B 0.9315
16 FDM 0.9314
17 9L3 0.9284
18 U6M 0.9284
19 AMP 0.9269
20 C2R 0.9267
21 IMP 0.9250
22 PFU 0.9247
23 AIR 0.9239
24 S5P 0.9235
25 TKW 0.9229
26 DI 0.9175
27 DA 0.9171
28 D5M 0.9171
29 AS 0.9169
30 2DT 0.9165
31 D4M 0.9165
32 FNU 0.9148
33 6CN 0.9141
34 T3S 0.9103
35 AMZ 0.9074
36 ATM 0.9043
37 8BR 0.9006
38 CNU 0.8996
39 5GP 0.8991
40 IRP 0.8986
41 FMP 0.8984
42 AZU 0.8962
43 5QT 0.8939
44 GAR 0.8925
45 6MA 0.8896
46 IRN 0.8876
47 PZB 0.8834
48 TXS 0.8795
49 NMN 0.8795
50 NCN 0.8795
51 8OP 0.8786
52 5HM 0.8776
53 G 0.8725
54 DGP 0.8718
55 NEC 0.8706
56 OMP 0.8695
57 6AU 0.8693
58 DG 0.8690
59 MTA 0.8689
60 HDU 0.8673
61 MTM 0.8658
62 UDP 0.8658
63 DUR 0.8658
64 N5O 0.8646
65 MTH 0.8626
66 JW5 0.8624
67 IMU 0.8616
68 2OM 0.8615
69 6MZ 0.8611
70 I22 0.8601
71 XMP 0.8595
72 71V 0.8568
73 FAI 0.8561
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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