Receptor
PDB id Resolution Class Description Source Keywords
3R1V 2.19 Å NON-ENZYME: BINDING ODORANT BINDING PROTEIN 7 FROM ANOPHELES GAMBIAE WITH FOUR D BRIDGES, IN COMPLEX WITH AN AZO COMPOUND ANOPHELES GAMBIAE ALL HELICAL PROTEIN ODORANT MOLECULES BINDING MOSQUITO ANTTRANSPORT PROTEIN
Ref.: THE CRYSTAL STRUCTURE OF ODORANT BINDING PROTEIN 7 ANOPHELES GAMBIAE EXHIBITS AN OUTSTANDING ADAPTABIL ITS BINDING SITE. J.MOL.BIOL. V. 414 401 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AZB A:128;
B:128;
 Valid;
Valid;
 none;
none;
 Kd = 0.12 uM
240.3 C15 H16 N2 O CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R1V 2.19 Å NON-ENZYME: BINDING ODORANT BINDING PROTEIN 7 FROM ANOPHELES GAMBIAE WITH FOUR D BRIDGES, IN COMPLEX WITH AN AZO COMPOUND ANOPHELES GAMBIAE ALL HELICAL PROTEIN ODORANT MOLECULES BINDING MOSQUITO ANTTRANSPORT PROTEIN
Ref.: THE CRYSTAL STRUCTURE OF ODORANT BINDING PROTEIN 7 ANOPHELES GAMBIAE EXHIBITS AN OUTSTANDING ADAPTABIL ITS BINDING SITE. J.MOL.BIOL. V. 414 401 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3R1V Kd = 0.12 uM AZB C15 H16 N2 O CC(C)c1ccc....
2 3R1P - PLM C16 H32 O2 CCCCCCCCCC....
3 3R1O - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 3R1V Kd = 0.12 uM AZB C15 H16 N2 O CC(C)c1ccc....
2 3R1P - PLM C16 H32 O2 CCCCCCCCCC....
3 3R1O - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 3R1V Kd = 0.12 uM AZB C15 H16 N2 O CC(C)c1ccc....
2 3R1P - PLM C16 H32 O2 CCCCCCCCCC....
3 3R1O - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AZB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AZB 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: AZB; Similar ligands found: 122
No: Ligand Similarity coefficient
1 ZTW 0.9520
2 9EG 0.9438
3 HAU 0.9403
4 397 0.9333
5 135 0.9308
6 0S0 0.9273
7 Y27 0.9266
8 J2N 0.9246
9 4WA 0.9218
10 G2V 0.9184
11 0NJ 0.9170
12 PIU 0.9152
13 SJR 0.9144
14 BSU 0.9138
15 TFX 0.9131
16 23M 0.9114
17 BOS 0.9099
18 124 0.9098
19 49Q 0.9096
20 AU6 0.9092
21 LWA 0.9085
22 K97 0.9083
23 BMZ 0.9077
24 120 0.9076
25 122 0.9060
26 J3B 0.9059
27 IW3 0.9048
28 IW5 0.9047
29 801 0.9037
30 CIU 0.9033
31 72H 0.9033
32 N08 0.9032
33 ZUF 0.9027
34 3K1 0.9024
35 ESJ 0.9007
36 7O8 0.9004
37 WF4 0.9004
38 Z3R 0.9003
39 4FC 0.8987
40 1UA 0.8965
41 HMO 0.8955
42 1SX 0.8955
43 EES 0.8947
44 LZ3 0.8945
45 7EL 0.8945
46 BBP 0.8940
47 4ZW 0.8938
48 A46 0.8925
49 WW3 0.8923
50 1V8 0.8919
51 6H2 0.8906
52 STL 0.8905
53 Y0R 0.8903
54 JP8 0.8896
55 L8N 0.8893
56 121 0.8892
57 WA1 0.8879
58 N5B 0.8866
59 1PB 0.8862
60 GP6 0.8860
61 GEN 0.8858
62 K0G 0.8856
63 90G 0.8852
64 1R5 0.8849
65 HTK 0.8834
66 BVB 0.8832
67 245 0.8824
68 1Q1 0.8824
69 47X 0.8820
70 A64 0.8819
71 D64 0.8818
72 1GV 0.8817
73 OLU 0.8810
74 7KE 0.8806
75 K3T 0.8799
76 RA1 0.8797
77 1Q2 0.8797
78 BP5 0.8793
79 IW4 0.8791
80 J2W 0.8775
81 29F 0.8772
82 5ET 0.8765
83 LJ2 0.8761
84 C0V 0.8758
85 2X1 0.8751
86 ENY 0.8751
87 613 0.8746
88 W2E 0.8743
89 S0B 0.8730
90 LJ1 0.8729
91 F08 0.8729
92 P4T 0.8728
93 HPX 0.8725
94 HDI 0.8717
95 06R 0.8717
96 A63 0.8712
97 O53 0.8706
98 WG8 0.8703
99 F36 0.8699
100 31F 0.8693
101 136 0.8682
102 PIT 0.8679
103 BZH 0.8675
104 4DE 0.8673
105 7B1 0.8664
106 LC1 0.8664
107 E8Z 0.8662
108 3GG 0.8659
109 A26 0.8656
110 1UZ 0.8656
111 A8D 0.8651
112 K5D 0.8614
113 F5N 0.8604
114 250 0.8594
115 OJM 0.8594
116 R3P 0.8588
117 18J 0.8586
118 FTK 0.8566
119 RE2 0.8558
120 GBJ 0.8554
121 2TH 0.8534
122 7GM 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R1V; Ligand: AZB; 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: 3r1v.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3R1V; Ligand: AZB; 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: 3r1v.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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