Receptor
PDB id Resolution Class Description Source Keywords
1QFT 1.25 Å NON-ENZYME: BINDING HISTAMINE BINDING PROTEIN FROM FEMALE BROWN EAR RHIPICEPHALUS APPENDICULATUS RHIPICEPHALUS APPENDICULATUS LIPOCALIN LIGAND BINDING PROTEIN
Ref.: TICK HISTAMINE-BINDING PROTEINS: ISOLATION, CLONING, AND THREE-DIMENSIONAL STRUCTURE. MOL.CELL V. 3 661 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HSM A:176;
A:177;
B:176;
B:177;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 1.7 nM
111.145 C5 H9 N3 c1c(n...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QFT 1.25 Å NON-ENZYME: BINDING HISTAMINE BINDING PROTEIN FROM FEMALE BROWN EAR RHIPICEPHALUS APPENDICULATUS RHIPICEPHALUS APPENDICULATUS LIPOCALIN LIGAND BINDING PROTEIN
Ref.: TICK HISTAMINE-BINDING PROTEINS: ISOLATION, CLONING, AND THREE-DIMENSIONAL STRUCTURE. MOL.CELL V. 3 661 1999
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1QFV - HSM C5 H9 N3 c1c(nc[nH]....
2 1QFT Kd = 1.7 nM HSM C5 H9 N3 c1c(nc[nH]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1QFV - HSM C5 H9 N3 c1c(nc[nH]....
2 1QFT Kd = 1.7 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 272 families.
1 1QFV - HSM C5 H9 N3 c1c(nc[nH]....
2 1QFT Kd = 1.7 nM HSM C5 H9 N3 c1c(nc[nH]....
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 : 1QFT; Ligand: HSM; Similar sites found: 49
This union binding pocket(no: 1) in the query (biounit: 1qft.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2E56 MYR 0.005518 0.42772 None
2 2YG2 FLC 0.003898 0.4291 2.32558
3 2YG2 S1P 0.003046 0.4291 2.32558
4 4RM0 FUC NDG GAL 0.01959 0.40724 2.85714
5 2Y7G AAE 0.006152 0.4057 2.85714
6 5FBN 5WF 0.0187 0.40498 2.85714
7 4H6B 10X 0.004444 0.40364 2.85714
8 4H6B 10Y 0.00288 0.40286 2.85714
9 4HIA FMN 0.009009 0.42245 3.42857
10 3PFG TLO 0.02068 0.41099 3.42857
11 1ERB ETR 0.01218 0.40752 3.42857
12 1GTE FMN 0.02348 0.40241 3.42857
13 1YUC EPH 0.01652 0.40518 4
14 5HSS 650 0.01045 0.41138 4.57143
15 4UWJ 7L5 0.04707 0.40732 4.57143
16 4UWJ MYA 0.04707 0.40732 4.57143
17 5AIG VPR 0.006658 0.41639 4.8
18 2GJ5 VD3 0.007586 0.42825 4.93827
19 3E8N ATP 0.01694 0.41706 5.14286
20 3KPX CZH 0.00988 0.41034 5.14286
21 3B2Q ATP 0.01123 0.40476 5.14286
22 5OO5 UUA 0.005012 0.40965 5.64516
23 3E85 BSU 0.01867 0.4113 5.6962
24 2OBD 2OB 0.02519 0.40198 5.71429
25 2R40 EPH 0.01831 0.40054 5.71429
26 5ML3 DL3 0.02397 0.40404 6.04027
27 4LA7 A1O 0.003245 0.43121 6.28571
28 3VQ2 LP4 LP5 MYR DAO 0.02527 0.40759 6.28571
29 1ZOA 140 0.02642 0.40198 6.28571
30 4RW3 IPD 0.01619 0.40202 7.42857
31 5UQD AKG 0.02155 0.40029 7.42857
32 3T50 FMN 0.008295 0.4039 7.8125
33 4R38 RBF 0.01054 0.40104 7.85714
34 1OLM VTQ 0.004097 0.42961 8
35 2XMY CDK 0.004409 0.45956 8.57143
36 4QDC ASD 0.005079 0.4094 8.57143
37 1UHK CZN 0.01199 0.40643 9.14286
38 2E3N 6CM 0.01939 0.40422 9.71429
39 3ILR SGN 0.03466 0.40407 10.2857
40 3ILR SGN IXD 0.03844 0.40407 10.2857
41 3ILR IXD 0.03466 0.40407 10.2857
42 4OMJ 2TX 0.01188 0.4132 11.4286
43 2R5V HHH 0.004187 0.40568 14.8571
44 5KEW 6SB 0.02112 0.40378 15.9574
45 2CM4 RCL 0.00004741 0.50937 16
46 4S00 AKR 0.0153 0.40362 20
47 1GP6 QUE 0.005493 0.42219 26.8571
48 3BRN SRO 0.000001536 0.49962 42.6752
49 3BU1 HSM 0.000004856 0.43879 45.2703
Pocket No.: 2; Query (leader) PDB : 1QFT; Ligand: HSM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1qft.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QFT; Ligand: HSM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1qft.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1QFT; Ligand: HSM; Similar sites found: 21
This union binding pocket(no: 4) in the query (biounit: 1qft.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5A5W GUO 0.02368 0.40408 2.85714
2 1OJJ GLC GAL 0.01895 0.40059 2.85714
3 5H2D ERG 0.008252 0.40575 3.42857
4 1E8G FAD 0.02506 0.40557 3.42857
5 4MNS 2AX 0.015 0.41976 3.77358
6 2YNE NHW 0.04456 0.414 4
7 2YNE YNE 0.04456 0.414 4
8 4IGH 1EA 0.03609 0.41101 4
9 4IGH FMN 0.03609 0.41101 4
10 4IGH ORO 0.03609 0.41101 4
11 1EWF PC1 0.0179 0.40993 5.14286
12 1I7A PHE 0.009704 0.40265 5.40541
13 5EFC GTP 0.02137 0.40327 5.74713
14 4WN5 MVC 0.008611 0.40492 6.08696
15 2WA4 069 0.007911 0.41063 6.28571
16 1DZK PRZ 0.003929 0.40833 6.36943
17 3KV5 OGA 0.01069 0.41645 6.85714
18 5AYI BGC 0.007089 0.42657 8
19 2AL2 2PG 0.01225 0.40171 9.71429
20 3RUG DB6 0.03063 0.40378 10.8571
21 5HA0 LTD 0.0003637 0.41161 17.9487
Feedback