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Receptor
PDB id Resolution Class Description Source Keywords
3BU1 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MONOMINE-HISTAMINE COMPLEX ARGAS MONOLAKENSIS BETA BARREL LIPOCALIN LIGAND BINDING PROTEIN
Ref.: STRUCTURE, FUNCTION, AND EVOLUTION OF BIOGENIC AMIN PROTEINS IN SOFT TICKS. J.BIOL.CHEM. V. 283 18721 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HSM A:301;
Valid;
none;
Kd = 7.1 nM
111.145 C5 H9 N3 c1c(n...
SO4 A:300;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BU1 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MONOMINE-HISTAMINE COMPLEX ARGAS MONOLAKENSIS BETA BARREL LIPOCALIN LIGAND BINDING PROTEIN
Ref.: STRUCTURE, FUNCTION, AND EVOLUTION OF BIOGENIC AMIN PROTEINS IN SOFT TICKS. J.BIOL.CHEM. V. 283 18721 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3BU1 Kd = 7.1 nM HSM C5 H9 N3 c1c(nc[nH]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3BU1 Kd = 7.1 nM HSM C5 H9 N3 c1c(nc[nH]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3BU1 Kd = 7.1 nM HSM C5 H9 N3 c1c(nc[nH]....
2 3BRN Kd < 2 nM SRO C10 H12 N2 O c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HSM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HSM 1 1
2 AHN 0.428571 0.72973
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BU1; Ligand: HSM; Similar sites found with APoc: 76
This union binding pocket(no: 1) in the query (biounit: 3bu1.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4BQS K2Q None
2 4BQS ADP None
3 5W10 CMP None
4 3FB4 AP5 None
5 3HBN UDP None
6 3I59 N6R None
7 1QIN GIP 1.35135
8 2HFN FMN 1.35135
9 5BNS 4VM 1.35135
10 5NE5 KIF 2.02703
11 3W54 RNB 2.02703
12 4BFM ANP 2.02703
13 1KPH SAH 2.02703
14 1KPG SAH 2.02703
15 2ICK DMA 2.02703
16 2WSB NAD 2.02703
17 2FR6 CTN 2.05479
18 1DEK DGP 2.7027
19 3T7V MD0 2.7027
20 4I9A NCN 2.7027
21 4QTB 38Z 3.37838
22 3TTI KBI 3.37838
23 1QW9 KHP 3.37838
24 1NFQ NAI 3.37838
25 6C6O ENG 3.37838
26 1JA9 NDP 3.37838
27 5K8C NAD 3.37838
28 3SAO NKN 4.05405
29 6GQM F8H 4.05405
30 2CIG 1DG 4.05405
31 5MY8 RXZ 4.05405
32 2VVM PRO 4.05405
33 1YOK P6L 4.72973
34 2X2M X2M 4.72973
35 3SJU NDP 4.72973
36 6FYL 3NG 4.72973
37 4IJP 1EH 4.72973
38 4CYI ATP 5.40541
39 5WL1 CUY 5.40541
40 1UWC FER 5.40541
41 5ZGI SIN 5.40541
42 5UR1 YY9 6.08108
43 3RI1 3RH 6.08108
44 1B7H LYS NLE LYS 6.08108
45 2VBA P4T 6.08108
46 5B0I BOG 6.08108
47 1GT4 UNA 6.08108
48 4CQM NAP 6.75676
49 5GWT SIN 6.75676
50 3WBF NAP 6.75676
51 1I58 ACP 6.75676
52 4BJ8 BTN 7.14286
53 3E8N VRA 8.10811
54 3E8N ATP 8.10811
55 2XHK AKG 8.10811
56 2ZYI STE 8.10811
57 5LI9 ACP 8.78378
58 4WZ8 3W7 8.78378
59 1AJ0 PH2 8.78378
60 1AJ0 SAN 8.78378
61 6FXR AKG 8.78378
62 2W1A TSA 9.45946
63 5FAW CHT 10.1351
64 4O1P ANP 10.8108
65 1JQI FAD 11.4865
66 2DTX BMA 11.4865
67 3EKK GS2 12.1622
68 5XQW 8EU 12.8378
69 2IVF MD1 14.1892
70 1ELR ACE MET GLU GLU VAL ASP 14.5038
71 3JRS A8S 14.8649
72 1UP7 NAD 16.2162
73 4UX9 ANP 16.2162
74 4WVO 3UZ 18.9189
75 5CEO 50D 25
76 1QFT HSM 45.2703
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