Receptor
PDB id Resolution Class Description Source Keywords
6FTF 1.09 Å EC: 2.-.-.- REGULATORY SUBUNIT OF A CAMP-INDEPENDENT PROTEIN KINASE A FR TRYPANOSOMA CRUZI AT 1.09 A RESOLUTION TRYPANOSOMA CRUZI (STRAIN CL BRENER) PROTEIN KINASE A REGULATORY SUBUNIT CELL SIGNALLING SIGNAPROTEIN
Ref.: NUCLEOSIDE ANALOGUE ACTIVATORS OF CYCLIC AMP-INDEPE PROTEIN KINASE A OF TRYPANOSOMA. NAT COMMUN V. 10 1421 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:601;
B:603;
B:602;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
7CI B:604;
B:605;
Valid;
Valid;
none;
none;
Kd = 57 nM
292.247 C12 H12 N4 O5 c1c(c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FTF 1.09 Å EC: 2.-.-.- REGULATORY SUBUNIT OF A CAMP-INDEPENDENT PROTEIN KINASE A FR TRYPANOSOMA CRUZI AT 1.09 A RESOLUTION TRYPANOSOMA CRUZI (STRAIN CL BRENER) PROTEIN KINASE A REGULATORY SUBUNIT CELL SIGNALLING SIGNAPROTEIN
Ref.: NUCLEOSIDE ANALOGUE ACTIVATORS OF CYCLIC AMP-INDEPE PROTEIN KINASE A OF TRYPANOSOMA. NAT COMMUN V. 10 1421 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 6FTF Kd = 57 nM 7CI C12 H12 N4 O5 c1c(c2c(n1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 6FTF Kd = 57 nM 7CI C12 H12 N4 O5 c1c(c2c(n1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 6FTF Kd = 57 nM 7CI C12 H12 N4 O5 c1c(c2c(n1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 7CI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 7CI 1 1
2 NOS 0.473684 0.96875
3 TO1 0.434211 0.923077
Similar Ligands (3D)
Ligand no: 1; Ligand: 7CI; Similar ligands found: 93
No: Ligand Similarity coefficient
1 5ID 0.9830
2 HO4 0.9801
3 SGV 0.9744
4 EKH 0.9740
5 FTU 0.9714
6 5I5 0.9605
7 RPP 0.9528
8 MG7 0.9482
9 ZJB 0.9431
10 ADN 0.9360
11 A 0.9310
12 1DA 0.9306
13 TBN 0.9303
14 AD3 0.9292
15 GMP 0.9272
16 IMH 0.9255
17 UA2 0.9244
18 A4D 0.9222
19 Y3J 0.9214
20 5AD 0.9185
21 4UO 0.9178
22 6MD 0.9159
23 MTA 0.9142
24 DBM 0.9124
25 IMG 0.9119
26 NWW 0.9116
27 PRH 0.9110
28 HPR 0.9110
29 5FD 0.9094
30 CFE 0.9093
31 8OX 0.9089
32 5N5 0.9085
33 3D1 0.9081
34 GNG 0.9072
35 MTP 0.9069
36 9DI 0.9066
37 FMB 0.9061
38 5CD 0.9052
39 RAB 0.9045
40 3AD 0.9039
41 NOC 0.9010
42 3BH 0.9006
43 5NB 0.9002
44 UX0 0.9001
45 2FA 0.9000
46 F01 0.8992
47 PUR 0.8970
48 7D7 0.8969
49 XYA 0.8955
50 5UD 0.8938
51 THM 0.8934
52 3DT 0.8927
53 26A 0.8914
54 CL9 0.8891
55 NNR 0.8885
56 DCF 0.8873
57 RFZ 0.8872
58 13A 0.8865
59 4P8 0.8847
60 5F1 0.8835
61 5BT 0.8834
62 MDR 0.8828
63 ZAS 0.8824
64 6GR 0.8821
65 NWQ 0.8816
66 FMC 0.8805
67 XYP AHR 0.8772
68 AFX 0.8769
69 CC5 0.8759
70 RB1 0.8756
71 0DN 0.8736
72 145 0.8735
73 8HG 0.8719
74 MCF 0.8709
75 3L1 0.8696
76 TMC 0.8692
77 BVD 0.8691
78 SCT 0.8680
79 5P7 0.8654
80 MCY 0.8646
81 AHU 0.8644
82 5MD 0.8638
83 B86 0.8625
84 BGC OXZ 0.8606
85 Z2T 0.8598
86 CDY 0.8597
87 8DA 0.8592
88 ID2 0.8588
89 NEC 0.8586
90 W8G 0.8573
91 TIA 0.8570
92 NAR 0.8564
93 IFM BGC 0.8532
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FTF; Ligand: 7CI; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 6ftf.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2PTM CMP 25.7576
2 3OCP CMP 46.0432
3 3OCP CMP 46.0432
Pocket No.: 2; Query (leader) PDB : 6FTF; Ligand: 7CI; 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: 6ftf.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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