Receptor
PDB id Resolution Class Description Source Keywords
5T0A 1.95 Å EC: 2.8.2.- CRYSTAL STRUCTURE OF HEPARAN SULFATE 6-O-SULFOTRANSFERASE WI PAP AND HEPTASACCHARIDE SUBSTRATE ESCHERICHIA COLI O157:H7, DANIO RERIO HEPARAN SULFATE SULFOTRANSFERASE COMPLEX TRANSFERASE
Ref.: STRUCTURE BASED SUBSTRATE SPECIFICITY ANALYSIS OF H SULFATE 6-O-SULFOTRANSFERASES. ACS CHEM. BIOL. V. 12 73 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:2016;
A:2014;
A:2015;
A:2013;
A:2020;
A:2017;
A:2021;
A:2022;
A:2019;
B:1416;
A:2023;
B:1414;
B:1417;
A:2018;
B:1415;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
CL A:2030;
B:1421;
A:2031;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
NA B:1419;
A:2029;
B:1420;
A:2027;
A:2028;
A:2026;
Invalid;
Invalid;
Part of Protein;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
GNS BDP GNS IDS GNS BDP NPO A:2001;
Valid;
none;
submit data
1464.15 n/a [S+2]...
A3P B:1413;
A:2012;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
GLC GLC GLC GLC B:1409;
A:2008;
Valid;
Valid;
none;
none;
submit data
666.579 n/a O(C1O...
BPD GNS BDP GNS IDS GNS BDP NPO B:1401;
Valid;
none;
submit data n/a n/a n/a n/a
TLA A:2025;
B:1418;
A:2024;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T0A 1.95 Å EC: 2.8.2.- CRYSTAL STRUCTURE OF HEPARAN SULFATE 6-O-SULFOTRANSFERASE WI PAP AND HEPTASACCHARIDE SUBSTRATE ESCHERICHIA COLI O157:H7, DANIO RERIO HEPARAN SULFATE SULFOTRANSFERASE COMPLEX TRANSFERASE
Ref.: STRUCTURE BASED SUBSTRATE SPECIFICITY ANALYSIS OF H SULFATE 6-O-SULFOTRANSFERASES. ACS CHEM. BIOL. V. 12 73 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5T05 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
2 5T0A - GNS BDP GNS IDS GNS BDP NPO n/a n/a
3 5T03 - GNS BDP GNS BDP GNS BDP NPO n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5T05 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
2 5T0A - GNS BDP GNS IDS GNS BDP NPO n/a n/a
3 5T03 - GNS BDP GNS BDP GNS BDP NPO n/a n/a
50% Homology Family (99)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3VD8 - MTT C24 H42 O21 C([C@@H]1[....
2 3JYR Kd = 248 uM ACR C25 H43 N O18 C[C@@H]1[C....
3 4IFP - MAL C12 H22 O11 C([C@@H]1[....
4 5I04 - MAL C12 H22 O11 C([C@@H]1[....
5 3SET - MAL C12 H22 O11 C([C@@H]1[....
6 3SEY - MAL C12 H22 O11 C([C@@H]1[....
7 5B3Y - MAL C12 H22 O11 C([C@@H]1[....
8 1JW5 - GLC GLC n/a n/a
9 3Q29 - MAL C12 H22 O11 C([C@@H]1[....
10 1FQC - GLO GLC GLC n/a n/a
11 1ANF Ki = 3.5 uM GLC GLC n/a n/a
12 3MBP Ki = 0.16 uM GLC GLC GLC n/a n/a
13 1DMB Kd = 1.8 uM BCD C42 H70 O35 C([C@@H]1[....
14 1FQB - SOR GLC GLC n/a n/a
15 3SEU - MAL C12 H22 O11 C([C@@H]1[....
16 5B3X - MAL C12 H22 O11 C([C@@H]1[....
17 3G7W - MLR C18 H32 O16 C([C@@H]1[....
18 3Q26 - MAL C12 H22 O11 C([C@@H]1[....
19 4MBP Ki = 2.3 uM GLC GLC GLC GLC n/a n/a
20 1FQD - GLO GLC GLC GLC n/a n/a
21 3Q25 - MAL C12 H22 O11 C([C@@H]1[....
22 4JBZ - MAL C12 H22 O11 C([C@@H]1[....
23 3SER - MAL C12 H22 O11 C([C@@H]1[....
24 1LAX Kd = 2 uM GLC GLC n/a n/a
25 3SES - MAL C12 H22 O11 C([C@@H]1[....
26 1MDP - MAL C12 H22 O11 C([C@@H]1[....
27 1MDQ - MAL C12 H22 O11 C([C@@H]1[....
28 3SEX - MAL C12 H22 O11 C([C@@H]1[....
29 1JVX - MAL C12 H22 O11 C([C@@H]1[....
30 5B3Z - MAL C12 H22 O11 C([C@@H]1[....
31 1NL5 Kd = 6 nM MAL C12 H22 O11 C([C@@H]1[....
32 3G7V - MAL C12 H22 O11 C([C@@H]1[....
33 3RUM - MAL C12 H22 O11 C([C@@H]1[....
34 1JVY - MAL C12 H22 O11 C([C@@H]1[....
35 3Q28 - MAL C12 H22 O11 C([C@@H]1[....
36 3SEW - MAL C12 H22 O11 C([C@@H]1[....
37 3LBS - MAL C12 H22 O11 C([C@@H]1[....
38 1EZ9 Kd = 8 uM GLO GLC GLC GLC n/a n/a
39 3Q27 - MAL C12 H22 O11 C([C@@H]1[....
40 5BMY - MAL C12 H22 O11 C([C@@H]1[....
41 1FQA - SOR GLC GLC GLC n/a n/a
42 1MPD - MAL C12 H22 O11 C([C@@H]1[....
43 4RG5 - MAL C12 H22 O11 C([C@@H]1[....
44 3HPI Kd = 6.6 uM SUC C12 H22 O11 C([C@@H]1[....
45 5B3W - MAL C12 H22 O11 C([C@@H]1[....
46 2VGQ - MTT C24 H42 O21 C([C@@H]1[....
47 5IHJ - MLR C18 H32 O16 C([C@@H]1[....
48 5CFV - MAL C12 H22 O11 C([C@@H]1[....
49 5II5 - MAL C12 H22 O11 C([C@@H]1[....
50 5II4 - MAL C12 H22 O11 C([C@@H]1[....
51 5IQZ - MAL C12 H22 O11 C([C@@H]1[....
52 4WMT - 865 C37 H36 N6 O4 Cc1ccnc(c1....
53 4WGI - MAL C12 H22 O11 C([C@@H]1[....
54 4WMX Kd = 14.1 uM 3R7 C15 H13 N O4 S C=Cc1ccc(c....
55 4WMV ic50 = 93 uM 3R4 C9 H4 Cl F O2 S c1cc2c(cc1....
56 4WMW - MAL C12 H22 O11 C([C@@H]1[....
57 4WMS - MAL C12 H22 O11 C([C@@H]1[....
58 5LOF Kd = 0.19 nM 70R C39 H37 Cl F4 N6 O6 S Cc1c(ccc(c....
59 4WMU Kd = 0.18 uM 19H C20 H19 Cl2 N O3 Cc1cc(cc(c....
60 5OSQ - MAL C12 H22 O11 C([C@@H]1[....
61 3D4G - MAL C12 H22 O11 C([C@@H]1[....
62 4WVH - MAL C12 H22 O11 C([C@@H]1[....
63 4WVG - MAL C12 H22 O11 C([C@@H]1[....
64 4WTH - MAL C12 H22 O11 C([C@@H]1[....
65 4YS9 - MAL C12 H22 O11 C([C@@H]1[....
66 4TSM - MTT C24 H42 O21 C([C@@H]1[....
67 4MY2 - MAL C12 H22 O11 C([C@@H]1[....
68 4KYC - MAL C12 H22 O11 C([C@@H]1[....
69 1HSJ - GLC GLC n/a n/a
70 5HZ7 - MLR C18 H32 O16 C([C@@H]1[....
71 1URD - MLR C18 H32 O16 C([C@@H]1[....
72 1URS - MLR C18 H32 O16 C([C@@H]1[....
73 1URG Kd = 1.5 uM MAL C12 H22 O11 C([C@@H]1[....
74 3H4Z - GLC GLC n/a n/a
75 5WPZ - MAL C12 H22 O11 C([C@@H]1[....
76 5WQ6 - MAL C12 H22 O11 C([C@@H]1[....
77 5H7Q - MAL C12 H22 O11 C([C@@H]1[....
78 3DM0 - GLC GLC n/a n/a
79 3OAI - MAL C12 H22 O11 C([C@@H]1[....
80 5TTD - MLR C18 H32 O16 C([C@@H]1[....
81 4KYD - MAL C12 H22 O11 C([C@@H]1[....
82 5JST - MAL C12 H22 O11 C([C@@H]1[....
83 2XZ3 - MAL C12 H22 O11 C([C@@H]1[....
84 3N94 - MAL C12 H22 O11 C([C@@H]1[....
85 4QVH - FLC C6 H5 O7 C(C(=O)[O-....
86 4XZS - GLC GLC n/a n/a
87 5H7N - MTT C24 H42 O21 C([C@@H]1[....
88 4PE2 - MAL MAL n/a n/a
89 3O3U - MLR C18 H32 O16 C([C@@H]1[....
90 4IKM - MAL C12 H22 O11 C([C@@H]1[....
91 1Y4C - GLC GLC n/a n/a
92 5T05 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
93 5T0A - GNS BDP GNS IDS GNS BDP NPO n/a n/a
94 5T03 - GNS BDP GNS BDP GNS BDP NPO n/a n/a
95 5C7R - MLR C18 H32 O16 C([C@@H]1[....
96 5DFM - MAL C12 H22 O11 C([C@@H]1[....
97 4IRL - MTT C24 H42 O21 C([C@@H]1[....
98 1MG1 - MAL C12 H22 O11 C([C@@H]1[....
99 5AZ7 - MAL C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GNS BDP GNS IDS GNS BDP NPO; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 GNS BDP GNS IDS GNS BDP NPO 1 1
2 GNS BDP GNS BDP GNS BDP NPO 0.862745 1
3 NDG BDP BDP NPO NDG 0.669565 0.789474
4 NGY BDP SGN IDS SGN BDP 0.478873 0.802632
5 SGN IDS SGN IDS SGN IDS 0.47619 0.847222
6 SGN IDS SGN IDS 0.464567 0.833333
7 IDS SGN IDS SGN IDS IDS 0.459259 0.835616
8 RCB 0.451327 0.736111
9 SGN IDY 0.449153 0.783784
10 IDS SGN IDS SGN IDS SUS IDS SGN 0.448529 0.847222
11 NPJ 0.446429 0.736111
12 6Y2 0.441667 0.789474
13 SGN IDS SGN IDS SGN 0.441176 0.835616
14 GNX IDY 0.432203 0.77027
15 UAP SGN IDS SGN 0.431655 0.810811
16 SGN IDS UAP SGN 0.431655 0.810811
17 SGN IDS UAP SGN IDS SGN 0.431655 0.810811
18 UAP SGN IDS SGN IDS SGN 0.431655 0.810811
19 UAP SGN IDS SGN IDS 0.428571 0.810811
20 IDS SGN IDS SGN IDS 0.426471 0.821918
Ligand no: 2; Ligand: A3P; Similar ligands found: 387
No: Ligand ECFP6 Tc MDL keys Tc
1 A3P 1 1
2 PAP 0.835616 0.985507
3 PPS 0.802632 0.871795
4 3AM 0.794118 0.956522
5 AMP 0.684932 0.971014
6 A 0.684932 0.971014
7 A2P 0.684211 0.985294
8 7D5 0.666667 0.902778
9 2AM 0.635135 0.942857
10 A A A 0.611111 0.90411
11 ATR 0.595238 0.971014
12 A2D 0.594937 0.943662
13 ABM 0.594937 0.916667
14 ADP 0.592593 0.971429
15 SRA 0.589744 0.917808
16 A A 0.586957 0.943662
17 RAB 0.585714 0.816901
18 XYA 0.585714 0.816901
19 ADN 0.585714 0.816901
20 AN2 0.585366 0.957747
21 A22 0.58427 0.957747
22 PUA 0.583333 0.883117
23 AMP MG 0.582278 0.890411
24 0WD 0.580952 0.894737
25 A12 0.580247 0.931507
26 AP2 0.580247 0.931507
27 BA3 0.580247 0.943662
28 ATP A A A 0.578947 0.929577
29 25A 0.577778 0.971429
30 AGS 0.576471 0.918919
31 SAP 0.576471 0.918919
32 B4P 0.573171 0.943662
33 AP5 0.573171 0.943662
34 ATP 0.571429 0.971429
35 OVE 0.56962 0.90411
36 7D3 0.567901 0.90411
37 2A5 0.564706 0.917808
38 AQP 0.564706 0.971429
39 APC 0.564706 0.931507
40 5FA 0.564706 0.971429
41 V3L 0.563218 0.971429
42 APU 0.563107 0.918919
43 PAX 0.5625 0.85
44 ETB 0.559633 0.809524
45 DCA 0.559633 0.8
46 CA0 0.559524 0.917808
47 AU1 0.559524 0.944444
48 ADX 0.559524 0.848101
49 M33 0.559524 0.930556
50 A2R 0.555556 0.957747
51 BEF ADP 0.552941 0.88
52 ACP 0.552941 0.944444
53 ADP BEF 0.552941 0.88
54 50T 0.552941 0.930556
55 COA 0.54955 0.8
56 0T1 0.54955 0.8
57 AR6 0.546512 0.943662
58 PRX 0.546512 0.891892
59 APR 0.546512 0.943662
60 TAT 0.545455 0.931507
61 ACQ 0.545455 0.944444
62 D5M 0.54321 0.902778
63 DA 0.54321 0.902778
64 7D4 0.541176 0.90411
65 ADP MG 0.541176 0.90411
66 RBY 0.54023 0.905405
67 AD9 0.54023 0.944444
68 ADV 0.54023 0.905405
69 ADQ 0.537634 0.917808
70 30N 0.535088 0.731183
71 AMX 0.535088 0.809524
72 CAO 0.535088 0.772727
73 COS 0.535088 0.781609
74 CMX 0.530435 0.8
75 SCO 0.530435 0.8
76 SON 0.529412 0.931507
77 GAP 0.52809 0.891892
78 ANP 0.52809 0.944444
79 7D7 0.527778 0.763889
80 5N5 0.527027 0.791667
81 OOB 0.526882 0.930556
82 NA7 0.526316 0.931507
83 FAM 0.525862 0.781609
84 ACO 0.525862 0.772727
85 FCX 0.525862 0.772727
86 ADP PO3 0.522727 0.942857
87 5AL 0.522222 0.930556
88 HAX 0.521368 0.781609
89 A4D 0.52 0.791667
90 5CD 0.52 0.802817
91 FYN 0.516949 0.8
92 3KK 0.516949 0.781609
93 ATP MG 0.516854 0.90411
94 ATF 0.516484 0.931507
95 00A 0.515789 0.881579
96 DLL 0.515789 0.930556
97 DTA 0.512821 0.783784
98 COK 0.512605 0.781609
99 OXK 0.512605 0.781609
100 CA6 0.512605 0.708333
101 MCD 0.512605 0.781609
102 SOP 0.512605 0.781609
103 SRP 0.51087 0.905405
104 VO4 ADP 0.51087 0.930556
105 ADP VO4 0.51087 0.930556
106 ADP BMA 0.510417 0.891892
107 25L 0.510204 0.957747
108 G A A A 0.509091 0.87013
109 CMC 0.508333 0.781609
110 NMX 0.508333 0.73913
111 CO6 0.508333 0.781609
112 1VU 0.508333 0.772727
113 MTA 0.506329 0.77027
114 A3G 0.506024 0.773333
115 PAJ 0.505263 0.858974
116 A U 0.504673 0.868421
117 CAJ 0.504132 0.781609
118 SCD 0.504132 0.8
119 2MC 0.504132 0.747253
120 ALF ADP 0.5 0.868421
121 A1S 0.5 0.781609
122 1HE 0.5 0.764045
123 PTJ 0.5 0.894737
124 3OD 0.5 0.917808
125 EP4 0.5 0.75
126 3HC 0.5 0.790698
127 FYA 0.5 0.90411
128 MLC 0.5 0.781609
129 BCO 0.5 0.781609
130 IVC 0.5 0.790698
131 MAP 0.5 0.918919
132 ADP ALF 0.5 0.868421
133 MCA 0.495935 0.772727
134 COO 0.495935 0.781609
135 YE1 0.495935 0.790698
136 CAA 0.495935 0.790698
137 U A C C 0.495575 0.857143
138 3UK 0.494845 0.917808
139 OAD 0.494845 0.917808
140 8QN 0.494737 0.930556
141 5SV 0.494737 0.846154
142 ANP MG 0.494624 0.893333
143 6RE 0.493976 0.75641
144 101 0.493976 0.902778
145 3DH 0.493827 0.77027
146 M2T 0.493671 0.730769
147 5AD 0.493151 0.742857
148 MC4 0.491935 0.73913
149 SCA 0.491935 0.781609
150 2CP 0.491935 0.772727
151 U A G G 0.491071 0.881579
152 WAQ 0.489796 0.881579
153 A1R 0.489583 0.881579
154 AMO 0.489583 0.905405
155 4AD 0.489583 0.893333
156 AOC 0.488095 0.819444
157 3CP 0.488 0.781609
158 COF 0.488 0.764045
159 COW 0.488 0.772727
160 IRC 0.488 0.790698
161 2KQ 0.488 0.764045
162 1GZ 0.488 0.772727
163 CA8 0.488 0.708333
164 BYC 0.488 0.781609
165 HGG 0.488 0.781609
166 Y3J 0.486842 0.722222
167 FA5 0.485149 0.905405
168 1ZZ 0.484848 0.8375
169 AHX 0.484536 0.87013
170 DAL AMP 0.484211 0.90411
171 BCA 0.484127 0.772727
172 FAQ 0.484127 0.781609
173 4CA 0.484127 0.772727
174 AV2 0.483871 0.916667
175 DAT 0.483146 0.90411
176 5X8 0.483146 0.76
177 5AS 0.482759 0.776471
178 APC G U 0.482456 0.857143
179 ANZ 0.480769 0.820513
180 3AD 0.480519 0.828571
181 HXC 0.480315 0.764045
182 GRA 0.480315 0.781609
183 3AT 0.478261 0.971429
184 A3S 0.477273 0.783784
185 TGC 0.476562 0.772727
186 9SN 0.475248 0.87013
187 LAD 0.474747 0.858974
188 PR8 0.474747 0.848101
189 CO8 0.472868 0.764045
190 CIC 0.472868 0.781609
191 2NE 0.472868 0.764045
192 CCQ 0.472868 0.747253
193 1CZ 0.472868 0.772727
194 S0N 0.472868 0.781609
195 A5D 0.472527 0.783784
196 DSH 0.470588 0.721519
197 YAP 0.470588 0.893333
198 BIS 0.47 0.906667
199 ME8 0.47 0.8375
200 TXA 0.47 0.905405
201 NB8 0.47 0.87013
202 MYA 0.469231 0.764045
203 5F9 0.469231 0.764045
204 DCC 0.469231 0.764045
205 4CO 0.469231 0.772727
206 ST9 0.469231 0.764045
207 UCC 0.469231 0.764045
208 MFK 0.469231 0.764045
209 0FQ 0.469231 0.781609
210 A3T 0.466667 0.794521
211 U A A U 0.466667 0.906667
212 0ET 0.465649 0.764045
213 01A 0.465649 0.747253
214 TM1 0.465347 0.792683
215 J7C 0.465116 0.766234
216 AS 0.465116 0.855263
217 IMO 0.465116 0.928571
218 PO4 PO4 A A A A PO4 0.464646 0.928571
219 ZAS 0.464286 0.763158
220 DTP 0.462366 0.90411
221 CS8 0.462121 0.755556
222 1CV 0.462121 0.781609
223 WCA 0.462121 0.764045
224 4UV 0.461538 0.893333
225 NJP 0.460177 0.918919
226 S4M 0.45977 0.662791
227 NHW 0.458647 0.764045
228 4KX 0.458647 0.755556
229 NHM 0.458647 0.764045
230 HDC 0.458647 0.764045
231 UOQ 0.458647 0.764045
232 LAQ 0.457944 0.8375
233 JB6 0.455446 0.881579
234 NDP 0.455357 0.894737
235 NPW 0.455357 0.860759
236 MRS 0.455224 0.764045
237 HFQ 0.455224 0.764045
238 MRR 0.455224 0.764045
239 UPA 0.454545 0.881579
240 MAO 0.454545 0.756098
241 GGZ 0.453608 0.822785
242 NEC 0.453488 0.72
243 AFH 0.45283 0.858974
244 4UU 0.45283 0.893333
245 NHQ 0.452555 0.790698
246 TYR AMP 0.451923 0.88
247 XAH 0.451923 0.8375
248 YNC 0.451852 0.772727
249 DAK 0.451852 0.755556
250 SAH 0.451613 0.74026
251 G5A 0.451613 0.776471
252 MYR AMP 0.45098 0.814815
253 2VA 0.450549 0.773333
254 SFG 0.450549 0.746667
255 4UW 0.449541 0.858974
256 8Z2 0.448529 0.755556
257 A3N 0.448276 0.76
258 A U C C 0.448 0.846154
259 V1N 0.447619 0.916667
260 AMP DBH 0.447619 0.866667
261 ACK 0.447059 0.885714
262 103 0.447059 0.861111
263 QQY 0.447059 0.837838
264 3NZ 0.445545 0.75641
265 TYM 0.445455 0.905405
266 A G U 0.445312 0.8375
267 A7D 0.444444 0.773333
268 XNP 0.443478 0.871795
269 G3A 0.443396 0.894737
270 GJV 0.443182 0.746835
271 NVA 2AD 0.44086 0.74026
272 SA8 0.44086 0.703704
273 48N 0.440367 0.87013
274 YLP 0.440367 0.817073
275 WMP 0.439655 0.864865
276 AR6 AR6 0.439252 0.916667
277 G5P 0.439252 0.894737
278 G3D 0.438776 0.905405
279 D3Y 0.438776 0.763158
280 TSB 0.438776 0.795181
281 TXP 0.438596 0.894737
282 ZZB 0.438596 0.792683
283 NZQ 0.438596 0.883117
284 A5A 0.4375 0.804878
285 NAX 0.436364 0.848101
286 UP5 0.436364 0.893333
287 DND 0.436364 0.905405
288 NAI 0.436364 0.881579
289 NXX 0.436364 0.905405
290 SAI 0.43617 0.730769
291 VRT 0.43617 0.74359
292 SO8 0.43617 0.763158
293 1HA 0.435714 0.764045
294 A6D 0.435644 0.719512
295 QQX 0.435294 0.826667
296 GTA 0.435185 0.860759
297 TAD 0.435185 0.858974
298 ODP 0.434783 0.883117
299 SMM 0.43299 0.682353
300 SSA 0.43299 0.776471
301 01K 0.432624 0.781609
302 OMR 0.432432 0.82716
303 DDS 0.431579 0.876712
304 139 0.429825 0.848101
305 COT 0.429577 0.781609
306 VMS 0.428571 0.785714
307 AP0 0.428571 0.87013
308 52H 0.428571 0.776471
309 4TC 0.428571 0.87013
310 CC5 0.428571 0.814286
311 54H 0.428571 0.785714
312 DZD 0.42735 0.858974
313 LPA AMP 0.427273 0.814815
314 AAT 0.427083 0.703704
315 EEM 0.427083 0.686747
316 7MD 0.425926 0.8375
317 3D1 0.425 0.77027
318 3L1 0.425 0.77027
319 53H 0.424242 0.776471
320 5CA 0.424242 0.776471
321 MHZ 0.423913 0.694118
322 CA3 0.423611 0.781609
323 TXD 0.423423 0.881579
324 6V0 0.423423 0.87013
325 DG1 0.422764 0.894737
326 TAP 0.422764 0.906667
327 1DG 0.422764 0.894737
328 38Y 0.422414 0.804878
329 IOT 0.421053 0.829268
330 U G A 0.419847 0.8375
331 TXE 0.419643 0.881579
332 S7M 0.418367 0.686747
333 AHZ 0.418182 0.814815
334 ARG AMP 0.418182 0.82716
335 P5A 0.417476 0.741573
336 T5A 0.417391 0.817073
337 SAM 0.416667 0.686747
338 YLC 0.415929 0.8375
339 7MC 0.415929 0.817073
340 YLB 0.415929 0.817073
341 CPA 0.415929 0.825
342 DSZ 0.415842 0.776471
343 NSS 0.415842 0.776471
344 LSS 0.415842 0.758621
345 AAM 0.41573 0.971014
346 NAP 0.414634 0.944444
347 CNA 0.413793 0.905405
348 RP1 0.413793 0.864865
349 SP1 0.413793 0.864865
350 A4P 0.412281 0.819277
351 NVA LMS 0.411765 0.758621
352 YSA 0.411215 0.776471
353 8BR 0.411111 0.905405
354 5J9 0.409524 0.728395
355 CA5 0.409396 0.747253
356 ITT 0.408602 0.915493
357 NA0 0.408 0.931507
358 LEU LMS 0.407767 0.758621
359 HMG 0.407407 0.75
360 LA8 ALF 3PG 0.40708 0.835443
361 ALF ADP 3PG 0.40708 0.835443
362 AF3 ADP 3PG 0.40708 0.835443
363 COD 0.40678 0.788235
364 NAD 0.40678 0.930556
365 93P 0.406667 0.772727
366 UCA 0.406667 0.764045
367 2BA 0.406593 0.942029
368 CMP 0.406593 0.927536
369 71V 0.406593 0.881579
370 6C6 0.40625 0.88
371 GEK 0.405941 0.734177
372 12D 0.405405 0.783133
373 ADJ 0.405172 0.82716
374 YLA 0.405172 0.817073
375 GSU 0.403846 0.776471
376 KAA 0.403846 0.75
377 BT5 0.403361 0.829268
378 3GP 0.402174 0.891892
379 6IA 0.402062 0.835443
380 0UM 0.401961 0.695122
381 AYB 0.401709 0.807229
382 M24 0.401639 0.848101
383 PLM COA 0.40146 0.733333
384 COA MYR 0.40146 0.733333
385 COA PLM 0.40146 0.733333
386 J7V 0.4 0.809524
387 A3D 0.4 0.917808
Ligand no: 3; Ligand: GLC GLC GLC GLC; Similar ligands found: 190
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC 1 1
2 M5S 0.833333 1
3 MAN BMA MAN MAN MAN 0.833333 1
4 MAN MAN BMA MAN 0.730159 1
5 MAN MAN MAN MAN 0.730159 1
6 MAN MAN MAN 0.684211 1
7 GLC GLC GLC GLC GLC BGC 0.684211 1
8 GLC GLC GLC 0.684211 1
9 GLC GLC GLC GLC BGC 0.684211 1
10 GAL GAL 0.678571 1
11 GLA BGC 0.678571 1
12 BMA GLA 0.678571 1
13 GLA GLC 0.678571 1
14 MAN BMA 0.678571 1
15 LAK 0.678571 1
16 BGC GLA 0.678571 1
17 GLA BMA 0.678571 1
18 MLB 0.678571 1
19 GLC GLC GLC BGC 0.666667 1
20 M3M 0.631579 1
21 MAN GLC 0.631579 1
22 LB2 0.631579 1
23 MAN MMA MAN 0.630769 0.942857
24 GAL GAL SO4 0.615385 0.702128
25 GLC GLC GLC GLC GLC GLC 0.61194 1
26 MAN MAN MAN BMA MAN 0.589041 1
27 BGC BGC BGC BGC BGC 0.580645 1
28 BGC BGC BGC GLC BGC BGC 0.580645 1
29 BGC BGC BGC ASO BGC BGC ASO 0.580645 1
30 GLC BGC BGC BGC BGC BGC BGC 0.580645 1
31 GLC BGC BGC BGC 0.580645 1
32 BGC BGC BGC 0.580645 1
33 AHR AHR AHR 0.559322 0.857143
34 FUB AHR AHR 0.559322 0.857143
35 MAN MMA 0.557377 0.942857
36 BGC BGC GLC 0.553846 1
37 WZ3 0.547945 0.916667
38 P3M 0.542857 0.767442
39 BMA BMA GLA BMA BMA 0.541667 1
40 FUB AHR 0.534483 0.857143
41 AHR AHR 0.534483 0.857143
42 NAG BMA MAN MAN MAN MAN 0.53012 0.733333
43 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.529412 0.6875
44 1GN ACY GAL ACY 1GN BGC GAL BGC 0.529412 0.6875
45 BMA MAN MAN 0.522388 1
46 MAN H1M MAN 0.513514 0.868421
47 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
48 MAN MAN NAG MAN NAG 0.494382 0.6875
49 NAG NAG BMA MAN MAN 0.494382 0.6875
50 NAG MAN GAL MAN MAN NAG GAL 0.494382 0.6875
51 MAN MAN MAN MAN MAN MAN MAN MAN 0.494253 0.846154
52 BMA NGT MAN MAN 0.488372 0.66
53 CGC 0.485294 0.941176
54 BGC BGC XYS BGC 0.481013 0.942857
55 NAG BMA MAN MAN MAN MAN MAN 0.47561 0.868421
56 GLC BGC BGC BGC XYS BGC XYS XYS 0.470588 0.916667
57 GLC BGC BGC XYS BGC XYS XYS 0.463415 0.942857
58 BGC BGC BGC XYS BGC XYS XYS 0.463415 0.942857
59 BGC BGC XYS BGC XYS BGC XYS 0.463415 0.942857
60 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.462366 0.733333
61 GLA GAL GAL 0.457143 1
62 GLA GAL BGC 0.457143 1
63 NAG MAN MAN MAN NAG 0.453488 0.6875
64 RAF 0.453333 0.891892
65 FRU GLC GLA 0.453333 0.891892
66 B2G 0.453125 1
67 BGC BMA 0.453125 1
68 GLA GAL 0.453125 1
69 MAL MAL 0.453125 0.970588
70 GAL BGC 0.453125 1
71 GAL GLC 0.453125 1
72 GLC GAL 0.453125 1
73 BMA BMA 0.453125 1
74 BMA GAL 0.453125 1
75 GLC BGC 0.453125 1
76 N9S 0.453125 1
77 MAB 0.453125 1
78 CBI 0.453125 1
79 LAT 0.453125 1
80 GLA GLA 0.453125 1
81 BGC GLC 0.453125 1
82 CBK 0.453125 1
83 BGC GAL 0.453125 1
84 MAL 0.453125 1
85 LBT 0.453125 1
86 BGC BGC BGC BGC BGC BGC BGC BGC 0.452055 1
87 BGC BGC BGC BGC 0.452055 1
88 GLC GLC GLC GLC GLC GLC GLC GLC 0.447761 1
89 GLC BGC BGC 0.447761 1
90 BGC GLC GLC GLC GLC 0.447761 1
91 BMA MAN BMA 0.447761 1
92 MT7 0.447761 1
93 CEY 0.447761 1
94 GLC BGC BGC BGC BGC 0.447761 1
95 CT3 0.447761 1
96 GLC GAL GAL 0.447761 1
97 MAN BMA BMA BMA BMA 0.447761 1
98 BMA BMA BMA 0.447761 1
99 BMA BMA BMA BMA BMA 0.447761 1
100 CEX 0.447761 1
101 GLC GLC GLC GLC GLC 0.447761 1
102 B4G 0.447761 1
103 GLC BGC BGC BGC BGC BGC 0.447761 1
104 DXI 0.447761 1
105 CTR 0.447761 1
106 MLR 0.447761 1
107 GLC GLC GLC GLC GLC GLC GLC 0.447761 1
108 MAN MAN BMA BMA BMA BMA 0.447761 1
109 GLC GLC BGC 0.447761 1
110 CTT 0.447761 1
111 BGC GLC GLC 0.447761 1
112 BGC GLC GLC GLC 0.447761 1
113 GAL GAL GAL 0.447761 1
114 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.447761 1
115 MAN BMA BMA 0.447761 1
116 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.447761 1
117 GLA GAL GLC 0.447761 1
118 BGC BGC BGC BGC BGC BGC 0.447761 1
119 CE6 0.447761 1
120 CE5 0.447761 1
121 CE8 0.447761 1
122 BGC BGC BGC GLC 0.447761 1
123 BMA BMA MAN 0.447761 0.970588
124 BGC GLC GLC GLC GLC GLC GLC 0.447761 1
125 GLC GLC BGC GLC GLC GLC GLC 0.447761 1
126 MTT 0.447761 1
127 GLC BGC GLC 0.447761 1
128 BMA BMA BMA BMA BMA BMA 0.447761 1
129 GLC GLC XYS XYS 0.447368 0.914286
130 BMA BMA BMA BMA BMA BMA MAN 0.442857 0.970588
131 MAN BMA BMA BMA BMA BMA 0.442857 0.970588
132 GLA EGA 0.441176 0.942857
133 M13 0.439394 0.942857
134 T6P 0.439394 0.767442
135 GAL MBG 0.439394 0.942857
136 MDM 0.439394 0.942857
137 GAL BGC NAG GAL 0.439024 0.733333
138 BGC BGC 0.4375 1
139 2M4 0.4375 1
140 MAN MAN 0.4375 1
141 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.435897 0.611111
142 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.435897 0.611111
143 M5G 0.435644 0.6875
144 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.434783 0.942857
145 GLC BGC BGC XYS BGC XYS XYS GAL 0.434783 0.942857
146 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.434783 0.942857
147 GAL BGC BGC BGC XYS XYS 0.434783 0.942857
148 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.434783 0.942857
149 WZ5 0.434783 0.702128
150 GLC GLC BGC XYS BGC XYS 0.433735 0.942857
151 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.432203 0.611111
152 NGB 0.43038 0.622642
153 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.423529 0.942857
154 BGC BGC BGC XYS BGC BGC 0.423529 0.942857
155 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.423529 0.942857
156 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.422222 0.916667
157 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.422222 0.916667
158 BGC BGC XYS BGC XYS GAL 0.422222 0.916667
159 TRE 0.421053 1
160 GAL BGC BGC XYS 0.419753 0.942857
161 SUC GLA 0.419753 0.891892
162 LAT GLA 0.415385 1
163 MAL EDO 0.414286 0.942857
164 FUC BGC GAL 0.413333 0.970588
165 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.413043 0.825
166 NAG GAL GAL NAG GAL 0.411765 0.6875
167 BMA MAN 0.411765 0.914286
168 MAN MAN MAN GLC 0.407895 1
169 AXR BXY BXY BXX 0.407407 0.789474
170 BGC BGC BGC XYS GAL 0.406977 0.942857
171 RGG 0.40625 0.882353
172 GAL FUC 0.405797 0.941176
173 U63 0.405797 0.891892
174 NAG NAG BMA MAN MAN MAN MAN 0.40566 0.634615
175 4CQ 0.405405 0.970588
176 WZ2 0.405063 0.868421
177 NAG MAN BMA 0.404762 0.733333
178 NAG MAN MAN 0.404762 0.733333
179 KDO MAN MAN MAN MAN MAN 0.403846 0.868421
180 NOJ BGC 0.402778 0.727273
181 DMJ MAN 0.402778 0.727273
182 GLA GAL FUC 0.4 0.970588
183 NAG GAL 0.4 0.733333
184 GLA GLA FUC 0.4 0.970588
185 FUC GAL GLA 0.4 0.970588
186 FUC GLA GLA 0.4 0.970588
187 GAL GAL FUC 0.4 0.970588
188 NGA GAL 0.4 0.733333
189 GAL NAG 0.4 0.733333
190 NOY BGC 0.4 0.75
Ligand no: 4; Ligand: BPD GNS BDP GNS IDS GNS BDP NPO; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T0A; Ligand: GLC GLC GLC GLC; Similar sites found: 9
This union binding pocket(no: 1) in the query (biounit: 5t0a.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JN2 SFP 0.009168 0.46681 2.95359
2 3VPD BUA 0.005132 0.45932 3.91459
3 1SS4 CIT 0.02919 0.44404 3.92157
4 3IHB TRS 0.00004431 0.62047 4.16667
5 1BTN I3P 0.03232 0.40393 7.54717
6 2BOS GLA GAL 0.01103 0.42158 8.82353
7 3UBW 6SP 0.0006452 0.52192 9.1954
8 1JGS SAL 0.02704 0.41307 10.1449
9 2YD6 FLC 0.001338 0.50954 10.3774
Pocket No.: 2; Query (leader) PDB : 5T0A; Ligand: A3P; Similar sites found: 249
This union binding pocket(no: 2) in the query (biounit: 5t0a.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.00279 0.45782 None
2 1UO5 PIH 0.004802 0.45568 None
3 1PTR PRB 0.005463 0.41981 None
4 2PTZ PAH 0.001985 0.41261 0.925926
5 2DKH FAD 0.001432 0.44359 1.09546
6 2DKH 3HB 0.009033 0.41719 1.09546
7 4R33 SAH 0.007045 0.41522 1.19048
8 4R33 TRP 0.007045 0.41522 1.19048
9 2YVF FAD 0.002294 0.45884 1.22549
10 2YVF NAD 0.002382 0.45884 1.22549
11 2ZJ5 ADP 0.0009195 0.43972 1.30058
12 2BLE 5GP 0.006003 0.43969 1.3624
13 3L6R MLI 0.0007643 0.45796 1.44509
14 1NZY BCA 0.004223 0.41776 1.48699
15 1RY2 AMP 0.00582 0.40927 1.5083
16 2J0W ADP 0.00465 0.4008 1.55902
17 3MAG 3MA 0.01638 0.41864 1.62866
18 3MCT 3MC 0.001422 0.42565 1.6835
19 1YBH P22 0.0007765 0.42425 1.69492
20 4KCT PYR 0.0007353 0.43092 1.80361
21 4LHM AZZ 0.004955 0.40941 1.81818
22 2ZJ3 G6P 0.003869 0.4078 1.86667
23 1E7S NAP 0.006214 0.41625 1.86916
24 4NES UD1 0.005344 0.4005 1.87166
25 4HZO COA 0.005771 0.40131 1.88679
26 1TDF FAD 0.006472 0.42978 1.89873
27 1TDF NAP 0.01748 0.42517 1.89873
28 1E5F PLP 0.000199 0.42157 1.9802
29 2CE7 ADP 0.001143 0.40446 2.02312
30 4O8A 2OP 0.00959 0.42251 2.03785
31 1K6M AGS 0.00001146 0.42149 2.08333
32 2EB5 OXL 0.00162 0.43618 2.24719
33 1IYE PGU 0.009806 0.40693 2.26537
34 1R37 NAD 0.01116 0.40813 2.30548
35 3UH0 TSB 0.003138 0.41668 2.31214
36 2FGQ MLT 0.005085 0.41482 2.40964
37 4U9W COA 0.0002927 0.40508 2.41546
38 4U9W SER GLY ARG GLY LYS NH2 0.007971 0.40357 2.41546
39 4NAO AKG 0.003273 0.42976 2.45399
40 4JCA CIT 0.0008125 0.48505 2.45665
41 1Q3Q ANP 0.01411 0.42193 2.45665
42 1X54 4AD 0.001125 0.4359 2.53456
43 2Z9V PXM 0.004796 0.40453 2.55102
44 1RYD GLC 0.006154 0.41125 2.58398
45 3CBG 4FE 0.002227 0.46279 2.58621
46 3CBG FER 0.02162 0.40526 2.58621
47 4WBD CIT 0.000108 0.50597 2.5878
48 4WBD ADP 0.01379 0.40178 2.5878
49 3U1T MLI 0.008515 0.41118 2.589
50 2ZWS PLM 0.0006667 0.50148 2.63158
51 4M5P MLA 0.009066 0.43176 2.7027
52 4M5P 23W 0.01812 0.40242 2.7027
53 1M1B SPV 0.006549 0.40439 2.71186
54 2Q1A 2KT 0.008674 0.40483 2.73038
55 1KC7 PPR 0.001019 0.45238 2.74566
56 1NML CIT 0.001016 0.43148 2.76074
57 3BRE C2E 0.002723 0.42649 2.7933
58 2RCN GDP 0.0006933 0.42609 2.7933
59 4N02 FNR 0.02995 0.40476 2.80112
60 1RYI GOA 0.002419 0.47655 2.87958
61 4GYW UDP 0.007126 0.41382 2.89017
62 1A59 CIT 0.008193 0.41193 2.91005
63 4RJK PYR 0.001573 0.4519 2.97723
64 2WIC GNP 0.00001243 0.41269 2.99625
65 1P9P SAH 0.001077 0.43306 3.06513
66 1PEA ACM 0.001959 0.44747 3.11688
67 1GAD NAD 0.002621 0.42457 3.17919
68 4G1V FAD 0.008888 0.4034 3.17919
69 1VBH PEP 0.008028 0.40071 3.17919
70 3OZG SSI 0.0002112 0.4492 3.2
71 4DN8 BMA 0.007012 0.40881 3.20513
72 4JWX 1N4 0.003711 0.40899 3.21429
73 2ZE3 AKG 0.00565 0.40705 3.27273
74 2B7N NTM 0.004952 0.40943 3.2967
75 2VJJ RAM GLC GAL NAG NAG GLC 0.01858 0.41201 3.33333
76 4P9Z NMI PTR 02K ASN NH2 0.003031 0.41251 3.4188
77 2Q8H TF4 0.003561 0.44344 3.4398
78 1HEX NAD 0.006614 0.40994 3.47826
79 1HQL GLA MBG 0.00264 0.43393 3.50195
80 2YIV YIV 0.00481 0.42932 3.5061
81 4IHQ ADP 0.00003755 0.48081 3.50877
82 3WUC GLC GAL 0.004836 0.41576 3.64964
83 1ZJ6 G3D 0.000001351 0.51635 3.74332
84 2GDZ NAD 0.007029 0.41156 3.74532
85 1AX2 NDG GAL 0.001153 0.42929 3.76569
86 2IZ1 ATR 0.0006638 0.45282 3.79747
87 1T57 FMN 0.001014 0.43408 3.8835
88 3I6B KDO 0.003349 0.41077 3.88889
89 1SQ5 ADP 0.000006298 0.49261 3.8961
90 1SQ5 PAU 0.004911 0.40412 3.8961
91 1R27 MGD 0.01882 0.40082 3.90625
92 3VPD BUA 0.00009662 0.55807 3.91459
93 3VPD CIT 0.005445 0.44304 3.91459
94 1SS4 GSH 0.003938 0.4663 3.92157
95 1SS4 CIT 0.00695 0.42689 3.92157
96 3SQG COM 0.006021 0.44082 3.94265
97 4DQ2 BTX 0.002974 0.4253 3.96341
98 2ZTS ADP 0.0002133 0.40224 3.98406
99 1OFH ADP 0.00498 0.41196 4.02299
100 1WTC ACP 0.003844 0.42663 4.02477
101 2QGI UDP 0.003628 0.41503 4.03226
102 3P7I P7I 0.001798 0.42158 4.04984
103 4DXJ IPE 0.0008018 0.41196 4.14365
104 3IHB TRS 0.004038 0.45057 4.16667
105 3IHB GLU 0.006842 0.41543 4.16667
106 1XX6 ADP 0.0008211 0.42334 4.18848
107 3L24 GOA 0.006289 0.43143 4.25532
108 1II5 GLU 0.00415 0.41261 4.29185
109 3Q9T FAY 0.004737 0.42793 4.33276
110 2AEB ABH 0.008027 0.41347 4.34783
111 3CEV ARG 0.003262 0.40591 4.34783
112 1C3V PDC 0.002559 0.42131 4.4898
113 3IB8 AMP 0.0009054 0.40827 4.54545
114 1FP1 SAH 0.001616 0.41597 4.56989
115 4C2G ALA ALA ALA ALA 0.0003173 0.44502 4.70852
116 2NVK NAP 0.0003093 0.45213 4.71311
117 2Q8M AMP 0.0003455 0.42984 4.81928
118 2OWZ CIT 0.003484 0.42188 4.81928
119 2XI7 XI7 0.02583 0.41644 4.8913
120 4W6Z ETF 0.01927 0.4077 4.89914
121 1V6A TRE 0.001032 0.43764 4.91329
122 4P4T GDP 0.000006877 0.45012 5
123 1Z42 HBA 0.006371 0.45201 5.02959
124 1Z44 NPO 0.01679 0.42654 5.02959
125 1H9G COA MYR 0.001827 0.43082 5.0578
126 2XDQ MGX 0.007188 0.4286 5.08806
127 1O68 KIV 0.00147 0.42508 5.09091
128 1NU4 MLA 0.001564 0.48172 5.15464
129 1T3D CYS 0.01264 0.40349 5.19031
130 1GPJ CIT 0.001218 0.4415 5.19802
131 2NCD ADP 0.000004209 0.53654 5.2381
132 1JAC AMG 0.001419 0.47274 5.26316
133 2OHV NHL 0.001049 0.42495 5.30303
134 2VDJ HSE 0.01012 0.41424 5.31561
135 1Q11 TYE 0.002526 0.41567 5.34682
136 3GD8 BOG 0.007175 0.42122 5.38117
137 1Y7P RIP 0.01138 0.41188 5.38117
138 3H22 B53 0.00109 0.41875 5.38721
139 3O03 GCO 0.02222 0.40467 5.49828
140 3WCS MAN NAG 0.004778 0.4046 5.51181
141 1WRA PC 0.001072 0.4514 5.51948
142 3I51 45C 0.001349 0.40857 5.55556
143 1EYE PMM 0.001426 0.40791 5.71429
144 3VHZ L2P GLC MAN SGA 0.04298 0.40548 5.72519
145 5D63 FUC GLA GLA 0.005053 0.41494 5.80205
146 2C5S AMP 0.003181 0.40634 5.81114
147 3C1O NAP 0.005753 0.40794 5.919
148 1FIQ FAD 0.001592 0.44298 5.93607
149 1FIQ SAL 0.009924 0.40793 5.93607
150 4OYA 1VE 0.03662 0.42061 5.95745
151 1GJW GLC 0.005077 0.42123 5.96546
152 3UDG TMP 0.004671 0.43771 5.98007
153 1NXJ TLA 0.0006243 0.40034 6.01093
154 3TKA CTN 0.0003195 0.54239 6.05187
155 1QO0 BMD 0.002179 0.43064 6.12245
156 3EJ0 11X 0.004385 0.4088 6.12245
157 2WMO GTP 0.0006303 0.41228 6.31579
158 1P9B GDP 0.00004029 0.4322 6.33484
159 1P9B HDA 0.001633 0.42939 6.33484
160 1Y2W NAG 0.004602 0.41668 6.33803
161 3FED BIX 0.003093 0.40753 6.35838
162 4COQ SAN 0.003945 0.41956 6.47773
163 2QLX RM4 0.01068 0.40677 6.48148
164 3UIE ANP 0.0005658 0.42939 6.5
165 3I7S PYR 0.002664 0.44126 6.50685
166 1W7J ADP BEF 0.00003417 0.4393 6.62252
167 1R0X ATP 0.009434 0.41 6.64336
168 4B9E FAH 0.002386 0.43589 6.64452
169 1ZED PNP 0.004852 0.42211 6.6474
170 1SOW OXL 0.00835 0.42544 6.70732
171 3FPZ AHZ 0.01462 0.43192 6.74847
172 1NF8 BOG 0.0101 0.40785 6.76329
173 2XNJ FAD 0.002195 0.42407 6.76692
174 4USQ FAD 0.00176 0.44118 6.92521
175 3MD0 GDP 0.000004686 0.51572 7.04225
176 2OFE NAG 0.003447 0.42208 7.04225
177 2OFD NGA 0.00396 0.41949 7.04225
178 2BOI MFU 0.005939 0.40081 7.07965
179 1S8F GDP 0.0001608 0.43128 7.34463
180 1H8G CHT 0.01047 0.43754 7.36842
181 1RZM E4P 0.001727 0.44215 7.39645
182 1RZM PEP 0.005135 0.40334 7.39645
183 1PFK FBP 0.003094 0.4018 7.5
184 1BTN I3P 0.001055 0.49982 7.54717
185 3NOJ PYR 0.004061 0.41016 7.56302
186 3PNL ADP 0.003238 0.41443 7.58294
187 3S9K CIT 0.002621 0.4741 7.62712
188 2HW1 FRU 0.00789 0.40103 7.71812
189 2PWY SAH 0.006799 0.4035 7.75194
190 2X2T GAL NGA 0.000455 0.4868 7.84314
191 3CH5 GDP 0.002049 0.4021 7.87037
192 2JFV FLC 0.003954 0.41952 7.90378
193 1XHL NDP 0.004134 0.42348 8.08081
194 1T0S BML 0.002979 0.439 8.13953
195 2P69 PLP 0.001602 0.42974 8.16993
196 3KJI ADP 0.000001187 0.53377 8.26772
197 4B16 NAG 0.01401 0.4221 8.27068
198 3H86 AP5 0.00006702 0.51423 8.33333
199 2V7T SAH 0.04487 0.41312 8.3612
200 9LDB OXM 0.01518 0.42032 8.43373
201 2DVZ GLU 0.0001036 0.45695 8.59873
202 1NP0 NGT 0.006111 0.41138 8.62069
203 2ALG DAO 0.007208 0.40266 8.69565
204 3ZGE ASP 0.004752 0.42956 8.95954
205 1U3I GSH 0.004754 0.41016 9.00474
206 3KYF 5GP 5GP 0.002883 0.40295 9.09091
207 3UBW 6SP 0.005622 0.4552 9.1954
208 2FWP ICR 0.00861 0.4139 9.28962
209 2Q97 ATP 0.001885 0.42359 9.30233
210 1ULE GLA GAL NAG 0.006081 0.42457 9.33333
211 3R51 MMA 0.0053 0.43504 9.375
212 1YOA FMN 0.005162 0.454 9.43396
213 1G8S MET 0.00325 0.42318 9.56522
214 1YAG ATP 0.005049 0.40858 9.6
215 3RKR NAP 0.001911 0.40293 9.92366
216 1JGS SAL 0.004417 0.45762 10.1449
217 2F01 BTN 0.01214 0.42938 10.2362
218 2F01 BTQ 0.01214 0.42938 10.2362
219 2YD6 FLC 0.0003542 0.53082 10.3774
220 4F4S EFO 0.005231 0.40302 10.5263
221 1HFA PIO 0.00001158 0.63367 10.7266
222 3F81 STT 0.0004851 0.48546 10.929
223 4F8L GAL 0.008711 0.44183 11.0345
224 2Q37 3AL 0.007007 0.40317 11.0497
225 2BO4 FLC 0.00001777 0.53086 11.0831
226 2BZ1 TAU 0.001118 0.48951 11.2245
227 2NZU BG6 0.002797 0.4139 11.3636
228 1NME 159 0.0002029 0.50382 11.9565
229 2V5E SCR 0.004469 0.44741 12.8713
230 4FGC PQ0 0.001972 0.426 13.3333
231 1SC3 MLI 0.002486 0.44265 13.6364
232 3PNA CMP 0.00304 0.4071 13.6364
233 3RF4 FUN 0.003694 0.40907 13.7931
234 4BAS GNP 0.000007997 0.51354 14.0704
235 2E1A MSE 0.000653 0.43291 14.6667
236 1UW1 ADP 0.005826 0.4065 15
237 1DL7 NCH 0.002961 0.46691 15.5963
238 2XRH NIO 0.003949 0.42611 16
239 3QDT A2G GAL 0.006988 0.42176 18.8811
240 3QDY A2G GAL 0.007981 0.41907 18.8811
241 3QDY CBS 0.006401 0.41673 18.8811
242 3QDW NDG 0.008725 0.4107 18.8811
243 3QDV A2G 0.01845 0.40864 18.8811
244 3QDV NDG 0.01346 0.40847 18.8811
245 3LTW HLZ 0.007959 0.40644 18.9286
246 2IYG FMN 0.001545 0.40667 19.3548
247 1WGC SIA GAL BGC 0.03422 0.40219 22.807
248 1O9U ADZ 0.0004665 0.48628 27.7778
249 2O66 FLC 0.004974 0.40935 33.3333
Pocket No.: 3; Query (leader) PDB : 5T0A; Ligand: A3P; Similar sites found: 79
This union binding pocket(no: 3) in the query (biounit: 5t0a.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1T10 F6P 0.005072 0.40899 0.991736
2 4HA6 PXM 0.001975 0.42598 1.37795
3 3QV9 QV7 0.001229 0.4345 1.80361
4 4M51 BEZ 0.01211 0.41062 1.87354
5 4LSJ LSJ 0.002653 0.416 1.93798
6 2WQP WQP 0.003461 0.41976 2.00573
7 3HZL 6PC 0.005638 0.43374 2.01511
8 1Z45 GAL 0.003752 0.4088 2.02312
9 1R6W 164 0.0005998 0.40729 2.17391
10 1KBJ FMN 0.004669 0.41308 2.18447
11 1ZGA SAH 0.0008718 0.40759 2.2409
12 2OI2 DP6 0.001184 0.41068 2.39726
13 4CIB 7UZ 0.00308 0.41798 2.41758
14 4PO2 ASN ARG LEU LEU LEU THR GLY 0.004495 0.41217 2.55319
15 3CL5 SIO 0.004551 0.42336 2.65252
16 1JN2 SFP 0.01418 0.44461 2.95359
17 1W55 C 0.02833 0.4029 2.96496
18 1H16 PYR 0.008852 0.41697 3.03468
19 1UJ5 5RP 0.001972 0.403 3.0837
20 2P1M IHP 0.0007989 0.44348 3.125
21 3NNF AKG 0.005554 0.41317 3.19767
22 2BGM NAJ 0.02851 0.40841 3.23741
23 3O7B SAH 0.0003353 0.40303 3.27869
24 1OIK AKG 0.003888 0.41983 3.32226
25 2VKL MLT 0.02232 0.41174 3.33333
26 2HFK E4H 0.0008819 0.43395 3.44828
27 3MBG FAD 0.007126 0.40578 3.59712
28 3SIX GDP 0.001994 0.40208 3.63636
29 2Y0I AKG 0.007571 0.40177 3.69318
30 1JH7 UVC 0.007072 0.403 3.7037
31 3GM5 CIT 0.008778 0.4046 3.77358
32 4LIT AKG 0.00195 0.4262 3.9312
33 1XE7 GUN 0.007611 0.4274 3.94089
34 1ZFJ IMP 0.04471 0.4157 4.07332
35 4AF5 CIT 0.001016 0.44489 4.21053
36 3ZLM ANP 0.00359 0.40711 4.25532
37 5YAS FAC 0.00216 0.40242 4.28016
38 1SAZ ACP 0.03501 0.4135 4.46194
39 1CBF SAH 0.0004493 0.41087 4.5614
40 1FP1 HCC 0.0005885 0.4371 4.56989
41 2Y7P SAL 0.002112 0.41878 4.58716
42 1ZUW DGL 0.001646 0.4174 4.77941
43 3RGG AIR 0.0004816 0.43201 5.03145
44 2VMD MBG 0.004152 0.4402 5.05837
45 4LNL PLG 0.0007047 0.42705 5.40541
46 4LNL 2BK 0.0009218 0.42514 5.40541
47 4LNL 2BO 0.0009218 0.42514 5.40541
48 1QB7 ADE 0.0008164 0.42344 5.50847
49 3BY8 MLT 0.01021 0.40764 5.6338
50 1Y9Q MED 0.001831 0.4339 5.72917
51 3ZPG 5GP 0.02319 0.40376 5.75916
52 3BHO B4P 0.01658 0.41837 5.76923
53 1FIQ MTE 0.009951 0.40543 5.93607
54 4Q3F TLA 0.0005832 0.45524 5.98291
55 1GU3 BGC BGC BGC BGC BGC 0.005735 0.40142 6.04027
56 4N7C AEF 0.01238 0.40389 6.81818
57 4TSK NDP 0.03369 0.40519 6.85714
58 3TFC PEP 0.00585 0.40107 7.01299
59 1XX4 BAM 0.003206 0.44565 7.27969
60 1OGD RIP 0.002337 0.41702 7.63359
61 1MZV AMP 0.0005124 0.431 7.65957
62 9LDT OXM 0.02688 0.4076 8.43373
63 4K30 NLG 0.001582 0.41269 8.75
64 2HVK TBA 0.005439 0.41356 8.96226
65 2FWP CIT 0.01062 0.40553 9.28962
66 4LFL TG6 0.003047 0.40205 9.87654
67 1ECM TSA 0.002202 0.41251 10.0917
68 1PR9 NAP 0.002954 0.4307 10.6557
69 1JA9 NDP 0.03241 0.41189 10.9489
70 4C1K PEP 0.0009995 0.40279 11.4504
71 1KTC NGA 0.005115 0.40341 11.6049
72 1C1L GAL BGC 0.009317 0.40942 11.6788
73 2WGC SIA GAL BGC 0.006834 0.44748 12.2807
74 1GVF PGH 0.005151 0.40329 12.9371
75 4KGM ATP 0.002239 0.4006 13.4694
76 2DWU DGL 0.001914 0.41487 13.7681
77 1I1Q TRP 0.004271 0.40139 14.5833
78 4CCN OGA 0.003875 0.4199 17.1429
79 3QDW A2G 0.005414 0.4346 18.8811
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