Receptor
PDB id Resolution Class Description Source Keywords
5FHD 2 Å NON-ENZYME: OTHER STRUCTURE OF BACTEROIDES SP PIF1 COMPLEXED WITH TAILED DSDNA IN SSDNA BOUND COMPLEX BACTEROIDES SP. 2_1_16 PIF1 HELICASE DNA HELICASE HYDROLASE-DNA COMPLEX
Ref.: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THE UNWINDI MECHANISM OF BACTEROIDES SP PIF1 CELL REP V. 14 2030 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:502;
B:502;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
ADP ALF B:501;
A:501;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FHD 2 Å NON-ENZYME: OTHER STRUCTURE OF BACTEROIDES SP PIF1 COMPLEXED WITH TAILED DSDNA IN SSDNA BOUND COMPLEX BACTEROIDES SP. 2_1_16 PIF1 HELICASE DNA HELICASE HYDROLASE-DNA COMPLEX
Ref.: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THE UNWINDI MECHANISM OF BACTEROIDES SP PIF1 CELL REP V. 14 2030 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5FHD - ADP ALF n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5FHD - ADP ALF n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5FHD - ADP ALF n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ADP ALF; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: ADP ALF; Similar ligands found: 45
No: Ligand Similarity coefficient
1 ADP ALF 1.0000
2 ALF ADP 0.9887
3 ADP 0.9881
4 ADP BEF 0.9841
5 ANP 0.9835
6 ATP 0.9801
7 AGS 0.9782
8 ACP 0.9672
9 ADP VO4 0.9671
10 ALF GDP 0.9612
11 GSP 0.9598
12 BEF ADP 0.9573
13 GDP ALF 0.9550
14 GNP 0.9518
15 GTP 0.9503
16 GCP 0.9433
17 GDP 0.9391
18 DTP 0.9354
19 GDP AF3 0.9304
20 9GM 0.9263
21 DBG 0.9242
22 GDP BEF 0.9183
23 APC 0.9178
24 BEF GDP 0.9146
25 DGT 0.9081
26 ADP AF3 0.9048
27 CTP 0.9037
28 UTP 0.8993
29 3AT 0.8902
30 VO4 ADP 0.8891
31 CUU 0.8884
32 GDP MG 0.8883
33 ATF 0.8877
34 ITT 0.8808
35 GNH 0.8807
36 A12 0.8797
37 2KH 0.8770
38 GH3 0.8717
39 AN2 0.8651
40 7DT 0.8611
41 Y9Z 0.8607
42 JSQ 0.8584
43 DCP 0.8561
44 AMO 0.8539
45 TTP 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FHD; Ligand: ADP ALF; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 5fhd.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2AWN ADP 5.51181
2 2AWN ADP 5.51181
3 2AWN ADP 5.51181
4 2AWN ADP 5.51181
5 6HPH ANP 48.8038
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