Receptor
PDB id Resolution Class Description Source Keywords
3LGG 2.5 Å EC: 3.5.4.4 CRYSTAL STRUCTURE OF HUMAN ADENOSINE DEAMINASE GROWTH FACTOR ADENOSINE DEAMINASE TYPE 2 (ADA2) COMPLEXED WITH TRANSITIONA NALOGUE, COFORMYCIN HOMO SAPIENS TIM BARREL DIMERIZATION AND RECEPTOR BINDING DOMAINS GLYCOHYDROLASE GROWTH FACTOR SECRETED
Ref.: STRUCTURAL BASIS FOR THE GROWTH FACTOR ACTIVITY OF ADENOSINE DEAMINASE ADA2. J.BIOL.CHEM. V. 285 12367 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CFE A:513;
B:513;
Valid;
Valid;
none;
none;
submit data
284.269 C11 H16 N4 O5 c1nc2...
NAG A:509;
A:510;
A:511;
B:509;
B:510;
B:511;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
ZN A:512;
B:512;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LGG 2.5 Å EC: 3.5.4.4 CRYSTAL STRUCTURE OF HUMAN ADENOSINE DEAMINASE GROWTH FACTOR ADENOSINE DEAMINASE TYPE 2 (ADA2) COMPLEXED WITH TRANSITIONA NALOGUE, COFORMYCIN HOMO SAPIENS TIM BARREL DIMERIZATION AND RECEPTOR BINDING DOMAINS GLYCOHYDROLASE GROWTH FACTOR SECRETED
Ref.: STRUCTURAL BASIS FOR THE GROWTH FACTOR ACTIVITY OF ADENOSINE DEAMINASE ADA2. J.BIOL.CHEM. V. 285 12367 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3LGG - CFE C11 H16 N4 O5 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3LGG - CFE C11 H16 N4 O5 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3LGG - CFE C11 H16 N4 O5 c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CFE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 CFE 1 1
2 MCF 0.8 0.897059
3 DCF 0.591549 0.954545
4 SNI 0.453333 0.895522
5 NOS 0.447368 0.909091
6 GMP 0.4 0.857143
Similar Ligands (3D)
Ligand no: 1; Ligand: CFE; Similar ligands found: 149
No: Ligand Similarity coefficient
1 ADN 0.9717
2 PRH 0.9682
3 HPR 0.9682
4 5AD 0.9611
5 TBN 0.9601
6 3D1 0.9594
7 GNG 0.9581
8 5NB 0.9551
9 A 0.9545
10 AD3 0.9533
11 FTU 0.9532
12 FMC 0.9526
13 FMB 0.9522
14 5CD 0.9517
15 A4D 0.9512
16 5N5 0.9500
17 5FD 0.9493
18 EKH 0.9487
19 1DA 0.9483
20 5ID 0.9473
21 CL9 0.9460
22 MTA 0.9459
23 2FA 0.9456
24 3BH 0.9450
25 9DI 0.9446
26 DBM 0.9443
27 4UO 0.9439
28 MTP 0.9438
29 XYA 0.9427
30 PUR 0.9426
31 5F1 0.9419
32 6CR 0.9402
33 3AD 0.9393
34 26A 0.9388
35 IMH 0.9383
36 TAL 0.9380
37 UA2 0.9376
38 2FD 0.9375
39 MDR 0.9368
40 MTH 0.9367
41 FM2 0.9364
42 RPP 0.9339
43 MG7 0.9334
44 NWW 0.9328
45 RAB 0.9313
46 RFZ 0.9307
47 5UD 0.9295
48 Y3J 0.9283
49 6MD 0.9278
50 8OX 0.9254
51 IMG 0.9250
52 THM 0.9249
53 MTM 0.9245
54 7D7 0.9239
55 MTI 0.9237
56 NWQ 0.9214
57 5I5 0.9208
58 FM1 0.9204
59 H7S 0.9203
60 13A 0.9198
61 XYP AHR 0.9168
62 CDY 0.9134
63 0DN 0.9116
64 AFX 0.9113
65 3DT 0.9107
66 SCT 0.9101
67 7CI 0.9093
68 HO4 0.9081
69 8HG 0.9080
70 NNR 0.9072
71 GA2 0.9064
72 MCY 0.9058
73 TO1 0.9054
74 ZAS 0.9036
75 CTN 0.9029
76 B86 0.9017
77 TMC 0.9010
78 3L1 0.9009
79 EXX 0.8974
80 NEC 0.8962
81 CTE 0.8958
82 XTS 0.8949
83 CC5 0.8948
84 ZYV 0.8908
85 DBS 0.8892
86 SGV 0.8885
87 RBV 0.8881
88 3WN 0.8878
89 3WO 0.8878
90 NIR 0.8876
91 DTE 0.8868
92 DK4 0.8849
93 QQY 0.8843
94 GPK 0.8841
95 ACE TRP 0.8828
96 NEO 0.8820
97 XYP XIF 0.8808
98 XIF XYP 0.8807
99 KF5 0.8804
100 QQX 0.8803
101 MZR 0.8795
102 9UL 0.8793
103 AMP 0.8793
104 AHU 0.8792
105 TIA 0.8788
106 XYS XYP 0.8773
107 ACK 0.8770
108 SGP 0.8768
109 JMQ 0.8765
110 H4B 0.8762
111 092 0.8754
112 EAT 0.8753
113 TRP 0.8748
114 4GU 0.8719
115 A3N 0.8718
116 X2M 0.8717
117 AOC 0.8714
118 4K2 0.8706
119 XYS XYS 0.8701
120 2QU 0.8686
121 28B 0.8685
122 0GA 0.8681
123 XYP XYP 0.8671
124 2QV 0.8670
125 IFM BGC 0.8647
126 N5O 0.8646
127 8DA 0.8646
128 RVD 0.8633
129 8P3 0.8619
130 92O 0.8617
131 9CE 0.8612
132 1SF 0.8603
133 5AE 0.8601
134 B2L 0.8593
135 Z16 0.8590
136 AX8 0.8579
137 WCU 0.8579
138 BBY 0.8573
139 3AK 0.8571
140 NIY 0.8563
141 NWD 0.8555
142 1FL 0.8554
143 96Z 0.8549
144 XDN XYP 0.8548
145 XYP XDN 0.8548
146 EXG 0.8548
147 XDL XYP 0.8535
148 FWD 0.8522
149 GAA 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LGG; Ligand: CFE; 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: 3lgg.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3LGG; Ligand: CFE; 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: 3lgg.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback