Receptor
PDB id Resolution Class Description Source Keywords
4OK9 1.91 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE SINGLE-STRANDED RNA BINDING PROTEIN GEOBACILLUS THERMODENITRIFICANS GEOBACILLUS THERMODENITRIFICANS ANTITERMINATION SINGLE STRANDED RNA BINDING PROTEIN RNA BIPROTEIN
Ref.: CRYSTAL STRUCTURE OF THE SINGLE-STRANDED RNA BINDIN HUTP FROM GEOBACILLUS THERMODENITRIFICANS BIOCHEM.BIOPHYS.RES.COMMUN. V. 446 945 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:203;
B:202;
A:202;
A:203;
B:201;
A:201;
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
24.305 Mg [Mg+2...
HIS B:204;
A:204;
Valid;
Valid;
none;
none;
submit data
156.162 C6 H10 N3 O2 c1c([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OK9 1.91 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE SINGLE-STRANDED RNA BINDING PROTEIN GEOBACILLUS THERMODENITRIFICANS GEOBACILLUS THERMODENITRIFICANS ANTITERMINATION SINGLE STRANDED RNA BINDING PROTEIN RNA BIPROTEIN
Ref.: CRYSTAL STRUCTURE OF THE SINGLE-STRANDED RNA BINDIN HUTP FROM GEOBACILLUS THERMODENITRIFICANS BIOCHEM.BIOPHYS.RES.COMMUN. V. 446 945 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4OKQ - HIS C6 H10 N3 O2 c1c([nH+]c....
2 4OK9 - HIS C6 H10 N3 O2 c1c([nH+]c....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1WPV - HIS C6 H10 N3 O2 c1c([nH+]c....
2 1WRN - HIS C6 H10 N3 O2 c1c([nH+]c....
3 1WRO - HIS C6 H10 N3 O2 c1c([nH+]c....
4 4H4L - HIS C6 H10 N3 O2 c1c([nH+]c....
5 4OKQ - HIS C6 H10 N3 O2 c1c([nH+]c....
6 4OK9 - HIS C6 H10 N3 O2 c1c([nH+]c....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1WPV - HIS C6 H10 N3 O2 c1c([nH+]c....
2 1WRN - HIS C6 H10 N3 O2 c1c([nH+]c....
3 1WRO - HIS C6 H10 N3 O2 c1c([nH+]c....
4 4H4L - HIS C6 H10 N3 O2 c1c([nH+]c....
5 4OKQ - HIS C6 H10 N3 O2 c1c([nH+]c....
6 4OK9 - HIS C6 H10 N3 O2 c1c([nH+]c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HIS; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HIS 1 1
2 DHI 1 1
3 HSO 0.52381 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OK9; Ligand: HIS; Similar sites found: 69
This union binding pocket(no: 1) in the query (biounit: 4ok9.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XI7 XI7 0.007043 0.45644 None
2 1NPL MAN 0.00224 0.44049 None
3 3KPE TM3 0.003219 0.4335 None
4 3QDV A2G 0.01029 0.43046 None
5 2WGC SIA GAL BGC 0.04776 0.41044 None
6 1UO5 PIH 0.04783 0.4104 None
7 1UO4 PIH 0.03562 0.40997 None
8 3QDV NDG 0.01502 0.40933 None
9 2VQ5 HBA 0.0156 0.40856 None
10 2BOS GLA GAL 0.02238 0.40347 None
11 3QDW A2G 0.0399 0.40076 None
12 2Q8H TF4 0.007827 0.43641 1.34228
13 1A8S PPI 0.004707 0.40261 1.34228
14 4M5P MLA 0.01781 0.42588 2.01342
15 1ULE GLA GAL NAG 0.01006 0.41151 2.01342
16 1UUY PPI 0.0004738 0.49725 2.68456
17 1RYD GLC 0.008105 0.41568 2.68456
18 3IHB TRS 0.001914 0.46721 3.3557
19 1XX4 BAM 0.00142 0.43936 3.3557
20 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.02263 0.40685 3.3557
21 3F81 STT 0.03782 0.40195 3.3557
22 4Q3F TLA 0.00005797 0.51085 3.4188
23 1V5F TPP 0.006547 0.45145 4.02685
24 1V5F FAD 0.006547 0.45145 4.02685
25 2YD6 FLC 0.01596 0.43229 4.02685
26 2JFV FLC 0.01551 0.40311 4.02685
27 3HQJ COA 0.0005559 0.41587 4.61538
28 1JN2 SFP 0.0178 0.45808 4.69799
29 1WHT BZS 0.001226 0.45211 4.69799
30 2Q3M MLA 0.02149 0.41438 4.69799
31 1SS4 GSH 0.006301 0.46418 5.36913
32 3CBG 4FE 0.007867 0.4445 5.36913
33 3EJ0 11X 0.003679 0.42196 5.36913
34 1SS4 CIT 0.02235 0.42165 5.36913
35 1H16 DTL 0.02612 0.4101 5.36913
36 3O03 GCO 0.03519 0.40354 5.36913
37 1JGS SAL 0.01524 0.43799 5.7971
38 3VPD BUA 0.005205 0.4665 6.04027
39 2HVK TBA 0.0007382 0.46187 6.71141
40 1KC7 PPR 0.001194 0.46005 6.71141
41 3LTW HLZ 0.007311 0.41767 6.71141
42 2YIV YIV 0.01458 0.41606 6.71141
43 4JCA CIT 0.04713 0.40349 6.71141
44 3MAG 3MA 0.01352 0.43218 7.38255
45 2EB5 OXL 0.01086 0.41001 7.38255
46 4E1M TQ2 0.001068 0.42988 8.05369
47 1ZFJ IMP 0.007148 0.40829 8.05369
48 3SBZ MLI 0.02966 0.40731 8.05369
49 5CSM TRP 0.007741 0.40581 8.05369
50 3NOJ PYR 0.0005412 0.45699 8.72483
51 1DXY COI 0.02114 0.41474 8.72483
52 4N69 SER 0.01063 0.41043 9.39597
53 3EYK EYK 0.01301 0.40652 10.0671
54 4RJK PYR 0.01422 0.43966 10.7383
55 3B9Z CO2 0.006883 0.41884 10.7383
56 2ZWS PLM 0.04135 0.41395 10.7383
57 4QVH FLC 0.01892 0.43289 11.4094
58 2V5K OXM 0.0009473 0.42921 11.4094
59 1NXJ TLA 0.000324 0.43087 11.4754
60 3VCA PRO 0.003367 0.42358 12.7517
61 1Y1A GSH 0.004446 0.47125 14.094
62 1A5Z OXM 0.01089 0.42217 14.094
63 1GJW GLC 0.01413 0.41056 14.7651
64 3IB9 BTN 0.01694 0.40984 14.7651
65 3VHZ L2P GLC MAN SGA 0.02243 0.40362 16.1074
66 1SC3 MLI 0.0167 0.41322 19.3182
67 4LIT AKG 0.006922 0.41307 22.8188
68 1NU4 MLA 0.006238 0.42074 23.7113
69 1PTR PRB 0.01895 0.40463 40
Pocket No.: 2; Query (leader) PDB : 4OK9; Ligand: HIS; 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: 4ok9.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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