Receptor
PDB id Resolution Class Description Source Keywords
2FR6 2.07 Å EC: 3.5.4.5 CRYSTAL STRUCTURE OF MOUSE CYTIDINE DEAMINASE COMPLEXED WITH MUS MUSCULUS CYTIDINE DEAMINASE ZINC CYTIDINE URIDINE PROTEIN-SUBSTRACOMPLEX SUBSTRATE-PRODUCT INTERMEDIATE HYDROLASE
Ref.: THE 1.48 A RESOLUTION CRYSTAL STRUCTURE OF THE HOMOTETRAMERIC CYTIDINE DEAMINASE FROM MOUSE BIOCHEMISTRY V. 45 7825 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CTN A:1001;
C:1003;
D:1004;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
243.217 C9 H13 N3 O5 C1=CN...
NH3 B:1006;
Invalid;
none;
submit data
17.031 H3 N N
SO4 A:1005;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
URI B:1002;
Valid;
none;
submit data
244.201 C9 H12 N2 O6 C1=CN...
ZN A:147;
B:147;
C:147;
D:147;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FR6 2.07 Å EC: 3.5.4.5 CRYSTAL STRUCTURE OF MOUSE CYTIDINE DEAMINASE COMPLEXED WITH MUS MUSCULUS CYTIDINE DEAMINASE ZINC CYTIDINE URIDINE PROTEIN-SUBSTRACOMPLEX SUBSTRATE-PRODUCT INTERMEDIATE HYDROLASE
Ref.: THE 1.48 A RESOLUTION CRYSTAL STRUCTURE OF THE HOMOTETRAMERIC CYTIDINE DEAMINASE FROM MOUSE BIOCHEMISTRY V. 45 7825 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2FR6 - URI C9 H12 N2 O6 C1=CN(C(=O....
2 1ZAB - URD C10 H13 N O6 C1C(=O)C=C....
3 2FR5 - TYU C9 H16 N2 O6 C1CN(C(=O)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2FR6 - URI C9 H12 N2 O6 C1=CN(C(=O....
2 1ZAB - URD C10 H13 N O6 C1C(=O)C=C....
3 2FR5 - TYU C9 H16 N2 O6 C1CN(C(=O)....
4 1MQ0 - BRD C10 H14 N2 O5 C1=CNC(=O)....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UX1 - THU C9 H14 N2 O5 C1CN(C(=O)....
2 1JTK - THU C9 H14 N2 O5 C1CN(C(=O)....
3 1UX0 - THU C9 H14 N2 O5 C1CN(C(=O)....
4 1UWZ - THU C9 H14 N2 O5 C1CN(C(=O)....
5 2FR6 - URI C9 H12 N2 O6 C1=CN(C(=O....
6 1ZAB - URD C10 H13 N O6 C1C(=O)C=C....
7 2FR5 - TYU C9 H16 N2 O6 C1CN(C(=O)....
8 1MQ0 - BRD C10 H14 N2 O5 C1=CNC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CTN; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 CTN 1 1
2 AR3 1 1
3 I5A 0.754717 0.920635
4 DKZ 0.719298 0.863636
5 C 0.672131 0.842857
6 C5P 0.672131 0.842857
7 CAR 0.672131 0.842857
8 C3P 0.655738 0.828571
9 CDP 0.636364 0.857143
10 HF4 0.608696 0.857143
11 CTP 0.608696 0.857143
12 C2P 0.603175 0.842857
13 7XL 0.575342 0.859155
14 C C C C 0.564103 0.857143
15 C2G 0.552632 0.871429
16 CTD 0.551724 0.887097
17 C5G 0.55 0.859155
18 5AE 0.542373 0.935484
19 GEO 0.532258 0.878788
20 C C 0.525641 0.842857
21 DCZ 0.52459 0.907692
22 LDC 0.52459 0.907692
23 CDM 0.518519 0.813333
24 F01 0.516129 0.924242
25 CDC 0.506173 0.728395
26 URI 0.5 0.919355
27 CSV 0.494253 0.821918
28 CSQ 0.494253 0.821918
29 CXY 0.488095 0.833333
30 NVG 0.476744 0.810811
31 URD 0.47541 0.809524
32 V12 0.470588 0.833333
33 2TU 0.460317 0.848485
34 LTT 0.453125 0.876923
35 CJB 0.453125 0.873016
36 CC7 0.452055 0.802817
37 3TC 0.446154 0.835821
38 1AA 0.445652 0.8
39 16B 0.444444 0.783784
40 ZEB 0.435484 0.919355
41 G C 0.427184 0.759494
42 DC 0.424658 0.756757
43 DCM 0.424658 0.756757
44 DHZ 0.421875 0.919355
45 BRD 0.415385 0.870968
46 GPC 0.415094 0.722892
47 A C A C 0.411215 0.779221
48 PMT 0.41 0.75
49 MCN 0.403846 0.722892
50 7LS 0.402174 0.852941
Ligand no: 2; Ligand: URI; Similar ligands found: 91
No: Ligand ECFP6 Tc MDL keys Tc
1 URI 1 1
2 CJB 0.895833 0.949153
3 DKX 0.709091 0.857143
4 2TU 0.666667 0.888889
5 U5P 0.661017 0.848485
6 U 0.661017 0.848485
7 U4S 0.65 0.833333
8 U3P 0.644068 0.833333
9 UA3 0.644068 0.833333
10 U3S 0.629032 0.833333
11 U2S 0.629032 0.848485
12 UDP 0.625 0.863636
13 44P 0.603175 0.826087
14 UPU 0.6 0.863636
15 UTP 0.597015 0.863636
16 U2P 0.590164 0.848485
17 UDP UDP 0.575758 0.861538
18 2KH 0.565217 0.838235
19 UUA 0.561404 0.864407
20 ZEB 0.553571 0.966102
21 GDU 0.552632 0.865672
22 UPG 0.552632 0.865672
23 660 0.552632 0.852941
24 URM 0.552632 0.852941
25 GUD 0.552632 0.865672
26 UFM 0.552632 0.865672
27 UNP 0.549296 0.838235
28 Y6W 0.545455 0.816901
29 N3E 0.544118 0.835821
30 DHZ 0.534483 0.966102
31 U2F 0.531646 0.816901
32 UPF 0.531646 0.816901
33 UMF 0.53125 0.757143
34 U1S 0.527027 0.8
35 BRD 0.525424 0.915254
36 UVC 0.515625 0.782609
37 UFG 0.5125 0.816901
38 DUR 0.508475 0.903226
39 CTN 0.5 0.919355
40 5UD 0.5 0.920635
41 AR3 0.5 0.919355
42 UPP 0.5 0.838235
43 UDH 0.5 0.794521
44 URD 0.491525 0.881356
45 CTD 0.491525 0.9
46 CSQ 0.488372 0.780822
47 UDM 0.488372 0.84058
48 CSV 0.488372 0.780822
49 3UC 0.488095 0.816901
50 U U 0.481481 0.823529
51 UD1 0.477273 0.852941
52 UD2 0.477273 0.852941
53 UAD 0.47561 0.838235
54 UDX 0.47561 0.838235
55 USQ 0.464286 0.730769
56 UGA 0.464286 0.850746
57 UGB 0.464286 0.850746
58 GPQ 0.460317 0.875
59 G3N 0.458824 0.814286
60 PUP 0.457831 0.811594
61 GPK 0.453125 0.875
62 GPU 0.446154 0.875
63 6SY 0.43662 0.80597
64 0YQ 0.435897 0.835821
65 EPZ 0.428571 0.84058
66 U U U U 0.426829 0.808824
67 UM3 0.426471 0.782609
68 D1M 0.426471 0.903226
69 12V 0.425532 0.828571
70 HWU 0.425532 0.828571
71 D1J 0.424658 0.848485
72 EPU 0.424242 0.828571
73 EEB 0.424242 0.828571
74 A U 0.424242 0.76
75 UTP U U U 0.421687 0.818182
76 UD7 0.419355 0.826087
77 HP7 0.419355 0.838235
78 G U34 0.415842 0.7125
79 G U 0.415842 0.721519
80 MJZ 0.414894 0.814286
81 5AE 0.412698 0.887097
82 F5G 0.410526 0.826087
83 F5P 0.410526 0.814286
84 UD4 0.410526 0.814286
85 DU 0.408451 0.771429
86 UMP 0.408451 0.771429
87 UP5 0.408163 0.76
88 DDU 0.403226 0.793651
89 IUG 0.402062 0.721519
90 4TC 0.4 0.74026
91 DUS 0.4 0.701299
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FR6; Ligand: URI; 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: 2fr6.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2FR6; Ligand: URI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2fr6.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2fr6.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2fr6.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2fr6.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2fr6.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2FR6; Ligand: URI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2fr6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2fr6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2fr6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2fr6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2FR6; Ligand: URI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 2fr6.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2FR6; Ligand: URI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2fr6.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 2fr6.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 2fr6.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 2fr6.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 2fr6.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 2fr6.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 2FR6; Ligand: CTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 2fr6.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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