Receptor
PDB id Resolution Class Description Source Keywords
5F7R 1.85 Å NON-ENZYME: OTHER ROK REPRESSOR LMO0178 FROM LISTERIA MONOCYTOGENES BOUND TO I LISTERIA MONOCYTOGENES SEROVAR 1/2A (SATCC BAA-679 / EGD-E) REPRESSOR OPEN READING FRAME KINASE STRUCTURAL GENOMICS BIOLOGY CENTER FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEACSGID TRANSCRIPTION
Ref.: STRUCTURE TO FUNCTION OF AN ALPHA-GLUCAN METABOLIC THAT PROMOTES LISTERIA MONOCYTOGENES PATHOGENESIS. NAT MICROBIOL V. 2 16202 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL E:504;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GLC GLC A:501;
E:501;
Valid;
Valid;
none;
none;
submit data
358.296 n/a O1C(O...
ZN E:503;
A:503;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
PO4 E:505;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
PEG A:504;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5F7R 1.85 Å NON-ENZYME: OTHER ROK REPRESSOR LMO0178 FROM LISTERIA MONOCYTOGENES BOUND TO I LISTERIA MONOCYTOGENES SEROVAR 1/2A (SATCC BAA-679 / EGD-E) REPRESSOR OPEN READING FRAME KINASE STRUCTURAL GENOMICS BIOLOGY CENTER FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEACSGID TRANSCRIPTION
Ref.: STRUCTURE TO FUNCTION OF AN ALPHA-GLUCAN METABOLIC THAT PROMOTES LISTERIA MONOCYTOGENES PATHOGENESIS. NAT MICROBIOL V. 2 16202 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5F7R - GLC GLC 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 1068 families.
1 5F7R - GLC GLC 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 922 families.
1 5F7R - GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC 1 1
2 BGP 0.423077 0.707317
3 M6D 0.423077 0.707317
4 A6P 0.423077 0.707317
5 BG6 0.423077 0.707317
6 M6P 0.423077 0.707317
7 G6P 0.423077 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5F7R; Ligand: GLC GLC; Similar sites found: 36
This union binding pocket(no: 1) in the query (biounit: 5f7r.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CLO NS8 0.02266 0.40534 None
2 3JUC PCA 0.02097 0.411 1.96078
3 4G4P GLN 0.004955 0.43834 2.45902
4 3JU6 ARG 0.01833 0.4116 2.7027
5 4QS9 BGC 0.0001455 0.50946 2.9703
6 3WWX DIA 0.01551 0.41298 3.15186
7 2CI5 HCS 0.01929 0.4079 3.16901
8 2QHV OC9 0.01959 0.40344 3.33333
9 4BWL MN9 0.02719 0.40194 3.61842
10 2Z49 AMG 0.01934 0.40081 3.71287
11 3W5J GDP 0.01988 0.41059 3.92157
12 3O8M GLC 0.00002432 0.54043 3.9604
13 3O8M BGC 0.00002432 0.54043 3.9604
14 5KJW 53C 0.02457 0.4035 4.20792
15 1HXD BTN 0.006906 0.40573 4.6729
16 3QDK QDK 0.03494 0.40019 4.9505
17 3LTW HLZ 0.009765 0.42612 5.35714
18 1SZ2 BGC 0.00002393 0.44835 5.72289
19 1IK4 PGH 0.009168 0.41138 5.92105
20 1VHZ APR 0.01474 0.4182 6.06061
21 3ESS 18N 0.01716 0.40999 6.08696
22 3ZJX BOG 0.009695 0.42404 6.22837
23 4WXJ GLU 0.02579 0.40155 6.3197
24 2YPI PGA 0.01763 0.40168 6.47773
25 5FUI APY 0.01047 0.41834 6.81818
26 4L50 D8X 0.007956 0.41431 7.14286
27 2J1E NDG GAL 0.0277 0.40028 7.33333
28 1CZA GLC 0.00008013 0.52233 7.92079
29 5BRE 4UZ 0.000002224 0.45369 9.18635
30 4DHY GLC 0.00003102 0.43595 9.40594
31 1WHT BZS 0.008985 0.42327 9.76562
32 1GG6 APL 0.02013 0.40136 9.92366
33 3NZ1 3NY 0.01627 0.40938 11.6337
34 2CH5 NDG 0.00378 0.42963 14.4092
35 3BY8 MLT 0.01902 0.40747 20.4225
36 1WOQ BGC 0.0000002144 0.63996 20.5993
Pocket No.: 2; Query (leader) PDB : 5F7R; Ligand: GLC GLC; Similar sites found: 3
This union binding pocket(no: 2) in the query (biounit: 5f7r.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BTV RB3 0.01887 0.40975 2.32558
2 3EFS BTN 0.007467 0.4008 10.7296
3 3IWD M2T 0.02948 0.40331 19.1176
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