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Receptor
PDB id Resolution Class Description Source Keywords
4GC1 2.08 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE BACTERIOCIN LLPA FROM PSEUDOMONAS S COMPLEX WITH MAN ALPHA(1-2)MAN PSEUDOMONAS SP. BW11M1 MONOCOT-LECTIN FOLD BACTERIOCIN MANNOSE BASED CARHYDRATESANTIMICROBIAL PROTEIN
Ref.: STRUCTURAL DETERMINANTS FOR ACTIVITY AND SPECIFICIT BACTERIAL TOXIN LLPA. PLOS PATHOG. V. 9 03199 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN MAN A301:0;
B:301;
Valid;
Valid;
none;
none;
submit data
342.297 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GC1 2.08 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE BACTERIOCIN LLPA FROM PSEUDOMONAS S COMPLEX WITH MAN ALPHA(1-2)MAN PSEUDOMONAS SP. BW11M1 MONOCOT-LECTIN FOLD BACTERIOCIN MANNOSE BASED CARHYDRATESANTIMICROBIAL PROTEIN
Ref.: STRUCTURAL DETERMINANTS FOR ACTIVITY AND SPECIFICIT BACTERIAL TOXIN LLPA. PLOS PATHOG. V. 9 03199 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4GC1 - MAN MAN n/a n/a
2 4GC2 - NAG MAN MAN MAN NAG n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4GC1 - MAN MAN n/a n/a
2 4GC2 - NAG MAN MAN MAN NAG n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4GC1 - MAN MAN n/a n/a
2 4GC2 - NAG MAN MAN MAN NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MAN; 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 : 4GC1; Ligand: MAN MAN; Similar sites found with APoc: 108
This union binding pocket(no: 1) in the query (biounit: 4gc1.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 1FMB HYB None
3 2BOS GLA GAL None
4 3P7N FMN 1.55039
5 3T64 DU3 1.65746
6 3K4Z CBI 1.81159
7 2ZO9 MLI 1.82482
8 4GCZ FMN 2.17391
9 5XIJ 873 2.17391
10 5XIJ ANP 2.17391
11 6C1S EFV 2.17391
12 3IB8 AMP 2.17391
13 6FYV 3NG 2.17391
14 1K97 ASP 2.17391
15 1K97 CIR 2.17391
16 4ZDC CO8 2.17391
17 3N0Y APC 2.23464
18 2UVF AD0 2.53623
19 1PN4 HDC 2.53623
20 1Z6Z NAP 2.53623
21 4WNP 3RJ 2.53623
22 6D6W GCU 2.53623
23 2WA4 069 2.53623
24 5UN9 NHT 2.53623
25 2DIO EOD 2.65957
26 1QIN GIP 2.73224
27 5MWK RAM ARA GAL 8PK 8OQ RAM 2.89855
28 5A3T MMK 2.89855
29 6G0X RAM GLC GLA NAG NDG NAG 2.89855
30 1V08 NTZ 2.89855
31 3B00 16A 2.94118
32 2P3B 3TL 3.0303
33 2O4N TPV 3.0303
34 3MWS 017 3.0303
35 4NJS G08 3.0303
36 4U0W 16G 3.25203
37 4XCZ T3Q 3.26087
38 3NT6 COA 3.26087
39 5IVE 6E8 3.26087
40 3IU9 T07 3.26087
41 5N5S NAP 3.26087
42 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 3.27869
43 4WUJ FMN 3.40136
44 4YGF AZM 3.4188
45 3VZS CAA 3.50195
46 6A1G 9OL 3.61111
47 6C4A PYR 3.62319
48 4G17 0VN 3.62319
49 6C9B EGV 3.62319
50 6C8T EQJ 3.62319
51 2YBQ UP2 3.62319
52 1T66 FLU 3.65297
53 1OGX EQU 3.81679
54 2Z6D FMN 3.84615
55 4TW7 37K 3.90625
56 5X1M THG 3.98551
57 5X1M DHB 3.98551
58 4BJZ FAD 3.98551
59 4BJZ P3A 3.98551
60 4B1M FRU FRU 4.32432
61 3ZXR IQ1 4.34783
62 3ZXR P3S 4.34783
63 2F57 23D 4.34783
64 5BX3 NOJ 4.34783
65 4L3L 5FI 4.34783
66 2Z6C FMN 4.65116
67 3ICS COA 4.71014
68 6EPY RAF 4.71014
69 5B09 4MX 4.80769
70 5MZI FYK 5.07246
71 5MZI FAD 5.07246
72 2R5T ANP 5.07246
73 5FLJ QUE 5.37634
74 3II1 BGC 5.43478
75 1N9L FMN 5.50459
76 2GJ5 VD3 5.55556
77 3ZW2 NAG GAL FUC 5.74713
78 1KC7 PPR 5.7971
79 1VBH PEP 6.15942
80 1RQJ RIS 6.15942
81 2ORV 4TA 6.41026
82 3ZXE PGZ 6.76692
83 5GM5 CBI 6.81818
84 5K21 6QF 7.0922
85 2XZ9 PYR 7.24638
86 2A4W BLM 7.24638
87 2IFW ACE PHE LYS PHE PSA LEU AAR 7.28155
88 3B1Q NOS 7.6087
89 3T50 FMN 7.8125
90 3NW7 LGV 7.97101
91 4RGA 3PV 7.97101
92 3V4S ATP 8.33333
93 2Q0D ATP 8.69565
94 5UIJ TYD 8.69565
95 16PK BIS 9.78261
96 2QPU QPU 10.1449
97 2QPU QPS 10.1449
98 1C7O PPG 10.5072
99 4R38 RBF 10.7143
100 1FLR FLU 11.4155
101 4UXH T5A 11.9565
102 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 12.1547
103 5OO5 UUA 13.7097
104 3MPB FRU 19.1057
105 3A0E M3M 39.0909
106 1KJ1 MAN 43.1193
107 4OIT MAN 47.7876
108 4OIT BMA 47.7876
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