-->
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
342.297 n/a O(CC1...
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 1443 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 1205 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 1039 families.
1 5F7R - GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC; Similar ligands found: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GLA 1 1
2 GAL GLC 1 1
3 GLA BGC 1 1
4 BGC GLC 1 1
5 GLA GLC 1 1
6 LAK 1 1
7 GAL GAL 1 1
8 GLC BGC 1 1
9 MLB 1 1
10 MAN BMA 1 1
11 MAN MAN 1 1
12 BMA GLA 1 1
13 BMA MAN 1 1
14 GLC GLC 1 1
15 GLA BMA 1 1
16 BMA MAN MAN 0.953488 1
17 GLC GLC GLC GLC GLC BGC 0.953488 1
18 MAN MAN MAN 0.953488 1
19 GLC GLC GLC 0.953488 1
20 GLC GLC GLC GLC BGC 0.953488 1
21 AHR AHR 0.75 0.857143
22 FUB AHR 0.75 0.857143
23 MAN MAN MAN MAN 0.732143 1
24 MAN MAN BMA MAN 0.732143 1
25 AHR AHR AHR AHR AHR AHR 0.702128 0.857143
26 FUB AHR AHR 0.702128 0.857143
27 MAN BMA MAN 0.672727 1
28 MAN MMA 0.66 0.942857
29 GLC GLC GLC BGC 0.633333 1
30 M5S 0.606557 1
31 MAN BMA MAN MAN MAN 0.606557 1
32 MAN MAN MAN BMA MAN 0.575758 1
33 BMA BMA GLA BMA BMA 0.546875 1
34 MAN MMA MAN 0.540984 0.942857
35 MAN MAN MAN MAN MAN MAN MAN 0.535211 1
36 RAF 0.515625 0.891892
37 GIV 0.511628 0.848485
38 GLA 0.511628 0.848485
39 WOO 0.511628 0.848485
40 MAN 0.511628 0.848485
41 GAL 0.511628 0.848485
42 GLC 0.511628 0.848485
43 BGC 0.511628 0.848485
44 GXL 0.511628 0.848485
45 BMA 0.511628 0.848485
46 ALL 0.511628 0.848485
47 STW 0.507692 0.891892
48 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
49 BMA MAN MAN MAN MAN 0.485294 1
50 NGB 0.485294 0.622642
51 4CQ 0.483871 0.970588
52 WZ2 0.477612 0.868421
53 LBT 0.472727 1
54 N9S 0.472727 1
55 CBI 0.472727 1
56 MAB 0.472727 1
57 LAT 0.472727 1
58 CBK 0.472727 1
59 B2G 0.472727 1
60 BGC BMA 0.472727 1
61 GLC GAL 0.472727 1
62 GLA GLA 0.472727 1
63 BMA GAL 0.472727 1
64 GLA GAL 0.472727 1
65 MAL 0.472727 1
66 GAL BGC 0.472727 1
67 BGC GAL 0.472727 1
68 NAG MAN MAN 0.472222 0.733333
69 RGG 0.471698 0.882353
70 SUC GLA 0.471429 0.891892
71 DMJ MAN 0.466667 0.695652
72 NOJ BGC 0.466667 0.695652
73 WZ3 0.463768 0.916667
74 DEG 0.462963 0.769231
75 IFM MAN 0.459016 0.711111
76 EMZ 0.458333 0.783784
77 M6P 0.45098 0.674419
78 G6P 0.45098 0.674419
79 BG6 0.45098 0.674419
80 M6D 0.45098 0.674419
81 A6P 0.45098 0.674419
82 BGP 0.45098 0.674419
83 AHR AHR AHR 0.45 0.805556
84 EBG 0.446429 0.837838
85 M3M 0.446429 1
86 LB2 0.446429 1
87 NGR 0.446429 1
88 EBQ 0.446429 0.789474
89 MAN GLC 0.446429 1
90 MT7 0.440678 1
91 MAN BMA BMA BMA BMA BMA 0.440678 1
92 DXI 0.440678 1
93 GLC GAL GAL 0.440678 1
94 BGC BGC BGC BGC 0.440678 1
95 GLC BGC BGC BGC BGC BGC 0.440678 1
96 GLC BGC GLC 0.440678 1
97 CEX 0.440678 1
98 GLC BGC BGC BGC BGC 0.440678 1
99 BGC GLC GLC GLC GLC GLC GLC 0.440678 1
100 MLR 0.440678 1
101 BGC BGC BGC BGC BGC 0.440678 1
102 CE5 0.440678 1
103 MAN BMA BMA BMA BMA 0.440678 1
104 BMA BMA BMA BMA BMA 0.440678 1
105 MTT 0.440678 1
106 MAN MAN BMA BMA BMA BMA 0.440678 1
107 GLC GLC GLC GLC GLC 0.440678 1
108 BGC GLC GLC 0.440678 1
109 BMA MAN BMA 0.440678 1
110 BGC GLC GLC GLC 0.440678 1
111 GLA GAL GLC 0.440678 1
112 CT3 0.440678 1
113 BGC BGC BGC 0.440678 1
114 BGC BGC GLC 0.440678 1
115 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 1
116 CTR 0.440678 1
117 CEY 0.440678 1
118 GLC BGC BGC 0.440678 1
119 GLA GAL BGC 0.440678 1
120 BMA BMA BMA BMA BMA BMA 0.440678 1
121 GLC GLC BGC 0.440678 1
122 CTT 0.440678 1
123 BGC BGC BGC BGC BGC BGC 0.440678 1
124 BGC BGC BGC GLC 0.440678 1
125 MAN BMA BMA 0.440678 1
126 B4G 0.440678 1
127 GAL GAL GAL 0.440678 1
128 BGC GLC GLC GLC GLC 0.440678 1
129 CE8 0.440678 1
130 BMA BMA BMA 0.440678 1
131 GLC BGC BGC BGC 0.440678 1
132 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
133 CE6 0.440678 1
134 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.439024 0.6875
135 1GN ACY GAL ACY 1GN BGC GAL BGC 0.439024 0.6875
136 JZR 0.438596 0.714286
137 BHG 0.438596 0.714286
138 GLC HEX 0.438596 0.714286
139 TRE 0.4375 1
140 BMA Z4Y NAG 0.435897 0.717391
141 B7G 0.431034 0.738095
142 KGM 0.431034 0.738095
143 2M4 0.428571 1
144 MBG 0.428571 0.857143
145 MMA 0.428571 0.857143
146 GYP 0.428571 0.857143
147 AMG 0.428571 0.857143
148 GAL GAL SO4 0.424242 0.66
149 BOG 0.423729 0.738095
150 BNG 0.423729 0.738095
151 HSJ 0.423729 0.738095
152 M1P 0.423077 0.697674
153 XGP 0.423077 0.697674
154 G1P 0.423077 0.697674
155 GL1 0.423077 0.697674
156 BGC BGC XYS BGC 0.418919 0.942857
157 GAL FUC 0.416667 0.941176
158 SER MAN 0.416667 0.72093
159 XYT 0.415385 0.767442
160 BQZ 0.415094 0.909091
161 6SA 0.414894 0.733333
162 GAL BGC NAG GAL 0.413333 0.733333
163 GAL BGC BGC XYS 0.410959 0.942857
164 BGC BGC BGC GLC BGC BGC 0.409836 1
165 GLC BGC BGC BGC BGC BGC BGC 0.409836 1
166 GLA EGA 0.409836 0.942857
167 DGD 0.409639 0.733333
168 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409091 0.733333
169 NAG NAG BMA MAN MAN 0.406977 0.6875
170 T6P 0.40678 0.767442
171 GLA GAL GAL 0.40625 1
172 IAB 0.404494 0.733333
173 MAN MAN BMA 0.403226 1
174 BMA BMA MAN 0.403226 1
175 GLC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
176 BGC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
177 BGC BGC XYS BGC XYS BGC XYS 0.402597 0.942857
178 BMA MAN MAN MAN 0.4 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5F7R; Ligand: GLC GLC; Similar sites found with APoc: 75
This union binding pocket(no: 1) in the query (biounit: 5f7r.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5CLO NS8 None
2 4BI7 PGA 1.16732
3 5C9P FUC 1.31234
4 5G48 1FL 1.3369
5 4RD0 GDP 1.48515
6 2RIO ADP 1.48515
7 2ZRU FMN 1.63043
8 1OFL ASG GCD 1.73267
9 1FS5 TLA 1.8797
10 3JUC PCA 1.96078
11 3ZF8 GDP 1.96721
12 4RF7 ARG 1.9802
13 3VCA PRO 1.9802
14 2CDC XYS 2.45902
15 4GJ3 0XP 2.64901
16 3JU6 ARG 2.7027
17 1V7C HEY 2.849
18 4QS9 BGC 2.9703
19 3WWX DIA 3.15186
20 6B3V ANP 3.15789
21 6B3V 7DQ 3.15789
22 2CI5 HCS 3.16901
23 3WSG CIT 3.1746
24 5XWV 8H6 3.21782
25 2QHV OC9 3.33333
26 5YV5 ADP 3.46535
27 4BWL MN9 3.61842
28 1PIG BGC GLC 3.71287
29 2Z48 A2G 3.71287
30 2Z49 AMG 3.71287
31 3W5J GDP 3.92157
32 3O8M BGC 3.9604
33 3O8M GLC 3.9604
34 5NC9 8SZ 4.04858
35 5KJW 53C 4.20792
36 3UDG TMP 4.31894
37 4B16 NAG 4.51128
38 1HXD BTN 4.6729
39 1G51 AMP 4.70297
40 2WD7 VGD 4.85075
41 3QDK QDK 4.9505
42 1S8G DAO 4.95868
43 1NE7 AGP 5.19031
44 3LTW HLZ 5.35714
45 1SZ2 BGC 5.72289
46 1IK4 PGH 5.92105
47 1VHZ APR 6.06061
48 3ESS 18N 6.08696
49 3ZJX BOG 6.22837
50 4WXJ GLU 6.3197
51 2YPI PGA 6.47773
52 4CP8 MLI 6.68317
53 2H7C SIA 6.68317
54 1LSZ NDG NAG NAG NAG 6.80272
55 5FUI APY 6.81818
56 4L50 D8X 7.14286
57 2J1E NDG GAL 7.33333
58 5G5G MCN 7.42358
59 4MOB ADP 7.53012
60 1CZA GLC 7.92079
61 1SW0 PGA 8.06452
62 5BRE 4UZ 9.18635
63 5HWV MBN 9.23077
64 4DHY GLC 9.40594
65 1WHT BZS 9.76562
66 1GG6 APL 9.92366
67 2QGI UDP 10.4839
68 2AGC DAO 11.1111
69 3NZ1 3NY 11.6337
70 2CH5 NAG 14.4092
71 2CH5 NDG 14.4092
72 3BY8 MLT 20.4225
73 1WOQ BGC 20.5993
74 3LM9 FRU 22.8477
75 3VGL BGC 36.7601
Pocket No.: 2; Query (leader) PDB : 5F7R; Ligand: GLC GLC; Similar sites found with APoc: 10
This union binding pocket(no: 2) in the query (biounit: 5f7r.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1GPM AMP 1.23762
2 4BTV RB3 2.32558
3 4PTN PYR 2.33236
4 5WKC F50 2.9703
5 2OEM 1AE 4.45545
6 4KQP GLN 4.74138
7 2RI1 GLP 5.53191
8 1WPY BTN 5.53191
9 3EFS BTN 10.7296
10 3IWD M2T 19.1176
APoc FAQ
Feedback