Receptor
PDB id Resolution Class Description Source Keywords
1ALN 2.3 Å EC: 3.5.4.5 CRYSTAL STRUCTURE OF CYTIDINE DEAMINASE COMPLEXED WITH 3-DEA ESCHERICHIA COLI CYTIDINE DEAMINASE VALENCE BUFFER ZINC ENZYME SUBSTRATE
Ref.: CYTIDINE DEAMINASE COMPLEXED TO 3-DEAZACYTIDINE: A BUFFER" IN ZINC ENZYME CATALYSIS. BIOCHEMISTRY V. 35 1335 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CTD A:295;
 Valid;
 none;
 submit data
242.229 C10 H14 N2 O5 C1=CN...
ZN A:296;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CTU 2.3 Å EC: 3.5.4.5 TRANSITION-STATE SELECTIVITY FOR A SINGLE OH GROUP DURING CA CYTIDINE DEAMINASE ESCHERICHIA COLI HYDROLASE
Ref.: TRANSITION-STATE SELECTIVITY FOR A SINGLE HYDROXYL DURING CATALYSIS BY CYTIDINE DEAMINASE. BIOCHEMISTRY V. 34 4516 1995
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1ALN - CTD C10 H14 N2 O5 C1=CN(C(=O....
2 1CTU Ki = 1.2 pM ZEB C9 H14 N2 O6 C1=CN(C(=O....
3 1CTT Ki = 30 uM DHZ C9 H14 N2 O5 C1C=CN(C(=....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1ALN - CTD C10 H14 N2 O5 C1=CN(C(=O....
2 1CTU Ki = 1.2 pM ZEB C9 H14 N2 O6 C1=CN(C(=O....
3 1CTT Ki = 30 uM DHZ C9 H14 N2 O5 C1C=CN(C(=....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ALN - CTD C10 H14 N2 O5 C1=CN(C(=O....
2 1CTU Ki = 1.2 pM ZEB C9 H14 N2 O6 C1=CN(C(=O....
3 1CTT Ki = 30 uM DHZ C9 H14 N2 O5 C1C=CN(C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CTD; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 CTD 1 1
2 CTN 0.551724 0.887097
3 AR3 0.551724 0.887097
4 URI 0.491525 0.9
5 URD 0.491525 0.87931
6 5AE 0.483333 0.854839
7 2TU 0.47541 0.857143
8 F01 0.460317 0.848485
9 ZEB 0.45 0.9
10 CJB 0.444444 0.852459
11 DHZ 0.435484 0.9
12 BRD 0.428571 0.85
13 DKZ 0.411765 0.761194
14 5UD 0.40625 0.859375
15 I5A 0.4 0.8125
Similar Ligands (3D)
Ligand no: 1; Ligand: CTD; Similar ligands found: 147
No: Ligand Similarity coefficient
1 DCZ 0.9740
2 DUR 0.9696
3 UUA 0.9642
4 GEO 0.9625
5 TYU 0.9558
6 PIR 0.9523
7 MCY 0.9513
8 THU 0.9498
9 THM 0.9488
10 5BT 0.9472
11 DDU 0.9452
12 0DN 0.9445
13 B86 0.9403
14 ID2 0.9400
15 ADN 0.9378
16 5MD 0.9312
17 5AD 0.9290
18 IMH 0.9278
19 NOS 0.9253
20 SCT 0.9243
21 DBM 0.9223
22 TIZ 0.9213
23 K80 0.9204
24 A 0.9198
25 UA2 0.9193
26 TBN 0.9186
27 AD3 0.9166
28 3D1 0.9164
29 DNB 0.9163
30 A4D 0.9160
31 3BH 0.9159
32 3DT 0.9133
33 TIA 0.9123
34 W29 0.9102
35 RBV 0.9073
36 9DI 0.9071
37 AHU 0.9061
38 5ID 0.9058
39 MTP 0.9056
40 FMB 0.9052
41 1KN 0.9044
42 5NB 0.9037
43 MDR 0.9033
44 LDC 0.9005
45 2B4 0.8983
46 FMC 0.8964
47 TMC 0.8952
48 EKH 0.8948
49 AP4 0.8924
50 X11 0.8917
51 NNR 0.8903
52 MTA 0.8902
53 PQT 0.8890
54 RFZ 0.8882
55 9UL 0.8873
56 XYA 0.8861
57 TRP 0.8857
58 HRM 0.8854
59 GMP 0.8853
60 ZIQ 0.8853
61 5JT 0.8847
62 WSD 0.8843
63 TYR 0.8843
64 FTU 0.8839
65 HNH 0.8832
66 HNL 0.8827
67 PF1 0.8824
68 BGU 0.8818
69 SQ4 0.8816
70 7D7 0.8812
71 ZYV 0.8804
72 50C 0.8803
73 SQ7 0.8799
74 DX3 0.8793
75 FTV 0.8788
76 KTJ 0.8788
77 1Z6 0.8782
78 38B 0.8775
79 HNM 0.8774
80 5GV 0.8773
81 FHC 0.8761
82 HNK 0.8758
83 QBS 0.8757
84 CL9 0.8755
85 EN1 0.8754
86 3VO 0.8747
87 DTR 0.8743
88 GNG 0.8742
89 BZE 0.8742
90 E0O 0.8733
91 OCZ 0.8725
92 AUV 0.8717
93 CK2 0.8699
94 CC5 0.8696
95 WOE 0.8695
96 B21 0.8692
97 78U 0.8683
98 CH9 0.8682
99 YOF 0.8679
100 WS7 0.8678
101 0A1 0.8676
102 JZA 0.8674
103 EAT 0.8663
104 EXR 0.8661
105 C0H 0.8657
106 LTT 0.8654
107 DTY 0.8652
108 FC2 0.8652
109 BVD 0.8651
110 B2T 0.8650
111 DIF 0.8643
112 BPY 0.8639
113 9FG 0.8638
114 FMQ 0.8632
115 46P 0.8630
116 4OG 0.8625
117 FCD 0.8621
118 1WC 0.8621
119 M02 0.8618
120 YF3 0.8614
121 54E 0.8611
122 51Y 0.8610
123 F2W 0.8603
124 EXL 0.8603
125 BTM 0.8599
126 30G 0.8598
127 Y4L 0.8596
128 XDK 0.8592
129 BP7 0.8587
130 M3E 0.8584
131 ROI 0.8581
132 IYR 0.8580
133 344 0.8578
134 AH9 0.8571
135 RQD 0.8571
136 BQ5 0.8570
137 NI9 0.8569
138 1VK 0.8565
139 MPK 0.8562
140 0FR 0.8561
141 4UO 0.8560
142 C53 0.8559
143 1A7 0.8555
144 X48 0.8549
145 JRB 0.8548
146 GAT 0.8531
147 S60 0.8531
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CTU; Ligand: ZEB; 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: 1ctu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1CTU; Ligand: ZEB; 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: 1ctu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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