Receptor
PDB id Resolution Class Description Source Keywords
1GP5 2.2 Å EC: 1.14.11.19 ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA COMPLEXED WITH TRANS-DIHYDROQUERCETIN ARABIDOPSIS THALIANA DIOXYGENASE 2-OXOGLUTARATE DEPENDENT DIOXYGENASE FLAVONOID BIOSYNTHESIS OXIDOREDUCTASE
Ref.: STRUCTURE AND MECHANISM OF ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA. STRUCTURE V. 10 93 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:370;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
DH2 A:385;
Valid;
none;
submit data
304.252 C15 H12 O7 c1cc(...
DQH A:380;
Valid;
none;
submit data
304.252 C15 H12 O7 c1cc(...
FE A:390;
Part of Protein;
none;
submit data
55.845 Fe [Fe+3...
MES A:375;
A:376;
Invalid;
Invalid;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GP6 1.75 Å EC: 1.14.11.19 ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA COMPLEXED WITH TRANS-DIHYDROQUERCETIN (WITH 30 MIN EXPOSURE TO O2) ARABIDOPSIS THALIANA OXIDOREDUCTASE OXYGENASE 2-OXOGLUTARATE DEPENDENT DIOXYGENFLAVONOID BIOSYNTHESIS
Ref.: STRUCTURE AND MECHANISM OF ANTHOCYANIDIN SYNTHASE F ARABIDOPSIS THALIANA. STRUCTURE V. 10 93 2002
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GP6 - QUE C15 H10 O7 c1cc(c(cc1....
2 1GP5 - DH2 C15 H12 O7 c1cc(c(cc1....
3 1GP4 - AKG C5 H6 O5 C(CC(=O)O)....
4 2BRT - NAR C15 H12 O5 c1cc(ccc1C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GP6 - QUE C15 H10 O7 c1cc(c(cc1....
2 1GP5 - DH2 C15 H12 O7 c1cc(c(cc1....
3 1GP4 - AKG C5 H6 O5 C(CC(=O)O)....
4 2BRT - NAR C15 H12 O5 c1cc(ccc1C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GP6 - QUE C15 H10 O7 c1cc(c(cc1....
2 1GP5 - DH2 C15 H12 O7 c1cc(c(cc1....
3 1GP4 - AKG C5 H6 O5 C(CC(=O)O)....
4 2BRT - NAR C15 H12 O5 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 SHF 0.416667 0.666667
4 3PY 0.409091 0.652174
Ligand no: 2; Ligand: DH2; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 DQH 1 1
2 DH2 1 1
3 KXN 0.434783 0.875
4 28E 0.434783 0.875
Ligand no: 3; Ligand: DQH; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 DQH 1 1
2 DH2 1 1
3 KXN 0.434783 0.875
4 28E 0.434783 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GP6; Ligand: QUE; Similar sites found: 238
This union binding pocket(no: 1) in the query (biounit: 1gp6.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4NPL AKG 2.482e-07 0.6791
2 4NPL AKG 4.533e-07 0.66461
3 2IUW AKG 1.319e-06 0.62355
4 2JIG PD2 1.56e-06 0.61985
5 4OCT AKG 2.001e-06 0.60536
6 4OCT AKG 2.431e-06 0.60117
7 2A1X AKG 1.348e-05 0.58184
8 3QRC SCR 1.064e-05 0.57752
9 4J25 OGA 1.869e-05 0.57619
10 3QRC SCR 1.117e-05 0.57604
11 4J25 OGA 1.893e-05 0.57575
12 2D6M LBT 5.915e-05 0.57562
13 4J25 OGA 2.66e-05 0.56729
14 4J25 OGA 3.075e-05 0.56425
15 4BQY FNT 1.193e-05 0.55935
16 4J25 OGA 3.899e-05 0.55663
17 4J25 OGA 5.072e-05 0.55225
18 3HQR OGA 1.838e-05 0.55026
19 4J25 OGA 4.497e-05 0.54559
20 4L4J NAG NAG BMA MAN NAG 0.0001003 0.53605
21 3T4V MD3 1.264e-05 0.532
22 4J25 OGA 8.956e-05 0.53037
23 1ULE GLA GAL NAG 0.0002437 0.52637
24 2FCU AKG 0.0002153 0.52055
25 4BXF AKG 0.0002268 0.52022
26 3VV1 GAL FUC 0.0004428 0.51317
27 2FCU AKG 0.0003114 0.51206
28 1OIJ AKG 0.0002211 0.51026
29 3VV1 GAL FUC 0.0005182 0.50804
30 1ODM ASV 1.508e-05 0.50248
31 4IEU 2CO 0.0005605 0.49898
32 3WG3 A2G GAL NAG FUC 0.0005827 0.49896
33 4IGQ OGA 0.0005149 0.4965
34 3OYW TDG 0.000643 0.49308
35 1WW5 SGA BGC 0.0008122 0.48965
36 1WW5 SGA BGC 0.0008218 0.48907
37 1ULE GLA GAL NAG 0.001126 0.4834
38 1UNB AKG 1.506e-05 0.48322
39 4LIT AKG 0.001055 0.48238
40 4QM9 CYS 0.001149 0.48105
41 1WNB BTL 0.004678 0.48002
42 1WNB BTL 0.004678 0.48002
43 3M3E GAL A2G NPO 0.001551 0.47786
44 2YMZ LAT 0.0005321 0.47538
45 3AVR OGA 0.001676 0.47338
46 4JZR 4JR 0.001238 0.47234
47 2ET1 GLV 0.001825 0.47193
48 4NAO AKG 0.001254 0.47176
49 1UNB PN1 1.416e-05 0.47078
50 2D6M LBT 0.001513 0.46997
51 1OIJ AKG 0.001243 0.46971
52 3M3E GAL A2G NPO 0.002128 0.46921
53 1A78 TDG 0.002026 0.46817
54 4QM9 CYS 0.00189 0.46737
55 3H7J PPY 0.0007726 0.4665
56 1OIK AKG 0.002078 0.46456
57 3W21 AKG 0.002095 0.46352
58 3SCH TB6 0.002967 0.46318
59 2WA4 069 0.001164 0.46297
60 4IGQ THR M3L GLN 0.0004925 0.46143
61 1YP6 PRZ 0.0006412 0.46077
62 3KFF ZBT 0.00298 0.45828
63 3KFF XBT 0.00298 0.45828
64 3H7J PPY 0.001179 0.4578
65 1W6P NDG GAL 0.002926 0.45685
66 4BMB LAT 0.002023 0.45685
67 3WG3 A2G GAL NAG FUC 0.00264 0.45559
68 4GJY OGA 0.003121 0.45399
69 1GZW GAL BGC 0.003339 0.45348
70 4M1U A2G MBG 0.003761 0.45256
71 1NX4 AKG 0.004573 0.45246
72 3AVS OGA 0.003162 0.4516
73 4CCN OGA 0.003714 0.45106
74 4JH6 FCN 0.003384 0.4501
75 4HON AKG 0.004856 0.4488
76 4IE6 UN9 0.0001911 0.44829
77 4HN1 TYD 0.003085 0.44714
78 3WAR NIO 0.00972 0.44712
79 2OG7 SIN 0.003163 0.44604
80 1OJJ GLC GAL 0.004084 0.44594
81 4HON AKG 0.005534 0.44557
82 2YMZ LAT 0.001247 0.44548
83 1QY1 PRZ 0.0009338 0.44502
84 1QY1 PRZ 0.0009338 0.44502
85 4OJ8 AKG 0.0009584 0.44453
86 1OJK GLC BGC 0.004422 0.44417
87 2PNC CLU 0.006148 0.44414
88 3PUA OGA 0.006003 0.4435
89 4W9N TCL 0.006706 0.44337
90 3N9P OGA 0.007447 0.44333
91 4IAW LIZ 0.004792 0.4424
92 4CCK OGA 0.00533 0.44227
93 1J3R 6PG 0.003912 0.44201
94 4IAW LIZ 0.004141 0.44078
95 1ZX5 LFR 0.01751 0.44059
96 3RGA LSB 0.002363 0.43918
97 3KV5 OGA 0.008916 0.43884
98 3KV5 OGA 0.008916 0.43884
99 3PUR 2HG 0.007973 0.43838
100 4W9N TCL 0.007263 0.43804
101 4W9N TCL 0.007263 0.43804
102 2OS2 OGA 0.008078 0.43785
103 2Q8E OGA 0.008155 0.43758
104 1OIK C26 0.002599 0.43727
105 1OIJ AKG 0.004871 0.43671
106 2OS2 OGA 0.00913 0.43494
107 2Q8C AKG 0.00898 0.43471
108 3SAO NKN 0.003632 0.43465
109 2YBP 2HG 0.009482 0.43426
110 3PUR 2HG 0.009523 0.43412
111 2Q8E OGA 0.009533 0.43392
112 1UPR 4IP 0.01412 0.43259
113 3N9O OGA 0.01126 0.43246
114 4MOB ADP 0.009972 0.43245
115 1EPB REA 0.003304 0.43243
116 1TZD ADP 0.009122 0.43216
117 1NYW DAU 0.002254 0.43211
118 2HKA C3S 0.001899 0.43162
119 3W9F I3P 0.01878 0.43144
120 3N9Q OGA 0.01171 0.43136
121 2Q8C AKG 0.01035 0.43098
122 1Y2F WAI 0.01049 0.43096
123 1GT4 UNA 0.003576 0.43084
124 2RDQ AKG 0.001632 0.43079
125 2YBP 2HG 0.011 0.43072
126 2Z48 NGA 0.01395 0.43055
127 4H2V AMP 0.001663 0.43044
128 4H6B 10X 0.005487 0.4303
129 2Z77 HE7 0.001141 0.43026
130 2Z77 HE7 0.001141 0.43026
131 2Z77 HE7 0.001141 0.43026
132 4ASK K0I 0.001483 0.429
133 4ASK K0I 0.001513 0.42864
134 2VFT SOR 0.007347 0.42839
135 1OS7 AKG 0.002299 0.428
136 1OS7 TAU 0.002299 0.428
137 2Z48 NGA 0.0149 0.42794
138 1N5S ADL 0.004315 0.42706
139 1UUY PPI 0.01069 0.42666
140 2OVW CBI 0.009763 0.42662
141 3O5N BR0 0.008719 0.42626
142 3O5N BR0 0.008719 0.42626
143 1NKI PPF 0.01241 0.42584
144 2OVW CBI 0.01025 0.42555
145 3ACL 3F1 0.004783 0.42498
146 2OVW CBI 0.01054 0.42492
147 3EW2 BTN 0.01061 0.42478
148 2PXJ OGA 0.01441 0.42427
149 1W6O LAT 0.01567 0.4239
150 4IAW LIZ 0.009338 0.4232
151 4LBK GAL NAG GAL BGC 0.005224 0.4232
152 1OS7 AKG 0.002467 0.42314
153 1OS7 TAU 0.002467 0.42314
154 2PXJ OGA 0.01526 0.42293
155 2BOS GLA GAL 0.008367 0.42279
156 2QL9 CIT 0.01957 0.4222
157 1QFT HSM 0.005493 0.42219
158 4CCO OGA 0.01478 0.42184
159 4M26 AKG 0.01547 0.42181
160 4CS9 AMP 0.01668 0.42139
161 1I7E IBS 0.01644 0.42109
162 1ZZ7 S0H 0.01531 0.42103
163 2DIO EOD 0.007069 0.42092
164 1OFL NGK GCD 0.01419 0.41995
165 1GZW GAL BGC 0.01854 0.4195
166 1OIJ AKG 0.008319 0.41922
167 3MF2 AMP 0.002558 0.4191
168 3KV4 OGA 0.01942 0.41809
169 4QXB OGA 0.0147 0.41753
170 3W8X FTK 0.01007 0.41748
171 2GMH UQ5 0.0028 0.41746
172 2GC0 PAN 0.005801 0.41738
173 3B00 16A 0.01261 0.41669
174 1I82 BGC BGC 0.02212 0.41456
175 4GGZ BTN 0.01418 0.41414
176 4B7E OGA 0.02046 0.41377
177 3M94 M7M 0.01687 0.41362
178 4JGP PYR 0.02317 0.41358
179 2BOS GLA GAL 0.01027 0.41344
180 3SAO DBH 0.02402 0.41331
181 2P7Q GG6 0.01783 0.41322
182 4QXB OGA 0.02156 0.41321
183 4H2X G5A 0.006063 0.41301
184 2XOC ADP 0.02039 0.41245
185 3BMN AX3 0.02045 0.41133
186 4P7X AKG 0.0079 0.41129
187 4P7X YCP 0.0079 0.41129
188 2XUM OGA 0.0176 0.41127
189 2XUM OGA 0.0176 0.41127
190 1RZM E4P 0.02924 0.41117
191 2Z77 HE7 0.005599 0.41117
192 2HKA C3S 0.006767 0.41088
193 1H2K OGA 0.01783 0.41076
194 3BP1 GUN 0.02604 0.41062
195 3BP1 GUN 0.02604 0.41062
196 1C9K 5GP 0.01732 0.4098
197 2AGC DAO 0.02082 0.40977
198 1XNK XS2 0.01536 0.40853
199 2YG2 S1P 0.006537 0.40824
200 2VQ5 HBA 0.0275 0.40754
201 3K4Z CBI 0.0258 0.40744
202 2QX0 PH2 0.03271 0.40707
203 1H2M OGA 0.02085 0.40704
204 3GL0 HXX 0.01667 0.4068
205 3SAO NKN 0.01996 0.40672
206 4O9G T46 0.01787 0.40532
207 4OJ8 2TQ 0.005468 0.40529
208 3B00 16A 0.02132 0.40528
209 4KBA 1QM 0.01075 0.4052
210 4KBA 1QM 0.01075 0.4052
211 4KBC 1QJ 0.01797 0.4052
212 1RL4 BL5 0.03511 0.40488
213 2I74 MAN MAN MAN MAN 0.03412 0.40487
214 4P25 FUC GAL NAG FUC 0.03115 0.40475
215 1KGI T4A 0.004829 0.40454
216 1RL4 BL5 0.02437 0.40383
217 1SLT NDG GAL 0.03846 0.40378
218 2ZHL NAG GAL GAL NAG 0.02304 0.4036
219 2YG2 FLC 0.003725 0.40332
220 2P7Q GG6 0.03325 0.40324
221 3P3N AKG 0.02766 0.40277
222 4MJ0 SIA SIA 0.03809 0.40256
223 4QDF 30Q 0.01475 0.40223
224 1PIG GLC GLC 0.04116 0.40214
225 2Y0I AKG 0.03408 0.40157
226 2Z49 AMG 0.02542 0.40154
227 1CBK ROI 0.03987 0.40126
228 2ZWS PLM 0.0305 0.40107
229 2ZWS PLM 0.0305 0.40107
230 3FW9 SLX 0.01123 0.40107
231 4AZI OAN 0.02603 0.40093
232 3MTX PGT 0.006425 0.4008
233 2DDQ HRB 0.02627 0.40073
234 1ZHX HC3 0.004412 0.40042
235 2GMH UQ5 0.008414 0.40039
236 3D8C AKG 0.02582 0.4003
237 3D8C AKG 0.02582 0.4003
238 2HZQ STR 0.04187 0.40006
Pocket No.: 2; Query (leader) PDB : 1GP6; Ligand: DH2; Similar sites found: 234
This union binding pocket(no: 2) in the query (biounit: 1gp6.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4NPL AKG 2.23e-07 0.6791
2 4NPL AKG 4.083e-07 0.66461
3 2IUW AKG 1.187e-06 0.62355
4 2JIG PD2 1.404e-06 0.61985
5 4OCT AKG 1.799e-06 0.60536
6 4OCT AKG 2.187e-06 0.60117
7 2A1X AKG 1.241e-05 0.58184
8 3QRC SCR 9.845e-06 0.57752
9 4J25 OGA 1.709e-05 0.57619
10 3QRC SCR 1.034e-05 0.57604
11 4J25 OGA 1.731e-05 0.57575
12 4J25 OGA 2.436e-05 0.56729
13 4J25 OGA 2.818e-05 0.56425
14 4BQY FNT 1.079e-05 0.55935
15 4J25 OGA 3.712e-05 0.55574
16 4J25 OGA 4.657e-05 0.55225
17 3HQR OGA 1.698e-05 0.54985
18 4J25 OGA 4.232e-05 0.54493
19 4L4J NAG NAG BMA MAN NAG 9.323e-05 0.53605
20 3T4V MD3 1.132e-05 0.532
21 4J25 OGA 8.417e-05 0.52981
22 1ULE GLA GAL NAG 0.0002268 0.52637
23 2FCU AKG 0.0001989 0.52055
24 4BXF AKG 0.0002095 0.52022
25 1ULE GLA GAL NAG 0.0002457 0.51883
26 3VV1 GAL FUC 0.0004129 0.51317
27 2FCU AKG 0.0002881 0.51206
28 1OIJ AKG 0.0002052 0.51026
29 3VV1 GAL FUC 0.0004835 0.50804
30 3WG3 A2G GAL NAG FUC 0.0005404 0.49896
31 1ODM ASV 1.816e-05 0.49716
32 4IGQ OGA 0.0004805 0.4965
33 4IEU 2CO 0.0006734 0.49323
34 3OYW TDG 0.0005954 0.49308
35 1WW5 SGA BGC 0.0007592 0.48965
36 1WW5 SGA BGC 0.0007682 0.48907
37 1UNB AKG 1.022e-05 0.48423
38 4QM9 CYS 0.001068 0.48105
39 1WNB BTL 0.00443 0.48002
40 1WNB BTL 0.00443 0.48002
41 1C1L GAL BGC 0.001176 0.479
42 4LIT AKG 0.001202 0.47786
43 3M3E GAL A2G NPO 0.00145 0.47786
44 2YMZ LAT 0.000499 0.47538
45 3AVR OGA 0.001562 0.47338
46 4JZR 4JR 0.001147 0.47234
47 2ET1 GLV 0.001701 0.47193
48 4NAO AKG 0.001172 0.47176
49 1UNB PN1 1.019e-05 0.47078
50 2D6M LBT 0.001421 0.46997
51 1OIJ AKG 0.001162 0.46971
52 3M3E GAL A2G NPO 0.001992 0.46921
53 1A78 TDG 0.0019 0.46817
54 4QM9 CYS 0.001765 0.46737
55 2D6M LBT 0.001615 0.46493
56 1OIK AKG 0.001942 0.46456
57 3W21 AKG 0.001961 0.46352
58 3SCH TB6 0.002776 0.46318
59 2WA4 069 0.001074 0.46297
60 4IGQ THR M3L GLN 0.0004492 0.46143
61 3H7J PPY 0.0009421 0.46071
62 1YP6 PRZ 0.0006337 0.45926
63 1W6P NDG GAL 0.00276 0.45685
64 4BMB LAT 0.001906 0.45685
65 3KFF ZBT 0.002962 0.45682
66 3KFF XBT 0.002962 0.45682
67 3WG3 A2G GAL NAG FUC 0.002455 0.45559
68 3H7J PPY 0.00127 0.4546
69 4GJY OGA 0.00292 0.45399
70 1GZW GAL BGC 0.003151 0.45348
71 4M1U A2G MBG 0.003536 0.45256
72 1NX4 AKG 0.004277 0.45246
73 3AVS OGA 0.002942 0.4516
74 4CCN OGA 0.003478 0.45106
75 4JH6 FCN 0.003156 0.45005
76 4HON AKG 0.004552 0.4488
77 3WAR NIO 0.009189 0.44712
78 2OG7 SIN 0.002966 0.44604
79 1OJJ GLC GAL 0.003804 0.44594
80 4IE6 UN9 0.000173 0.44565
81 4HON AKG 0.00519 0.44557
82 2YMZ LAT 0.001173 0.44548
83 1QY1 PRZ 0.0008328 0.44547
84 1QY1 PRZ 0.0008328 0.44547
85 4OJ8 AKG 0.0008754 0.44453
86 4HN1 TYD 0.003254 0.4444
87 1OJK GLC BGC 0.004121 0.44417
88 2PNC CLU 0.005768 0.44414
89 3PUA OGA 0.005621 0.4435
90 3N9P OGA 0.006993 0.44333
91 4CCK OGA 0.004998 0.44227
92 1J3R 6PG 0.003637 0.44201
93 4H6B 10Y 0.003772 0.44123
94 1ZX5 LFR 0.01659 0.44059
95 3KV5 OGA 0.008394 0.43884
96 3KV5 OGA 0.008394 0.43884
97 2YBP 2HG 0.00738 0.43842
98 3PUR 2HG 0.007475 0.43838
99 2OS2 OGA 0.007575 0.43785
100 2Q8E OGA 0.007647 0.43758
101 1OIK C26 0.002399 0.43727
102 1OIJ AKG 0.004574 0.43671
103 3RGA LSB 0.002542 0.4361
104 4IAW LIZ 0.005948 0.43608
105 2OS2 OGA 0.008565 0.43494
106 2YBP 2HG 0.008608 0.43479
107 3SAO NKN 0.003421 0.43429
108 3PUR 2HG 0.008935 0.43412
109 2Q8E OGA 0.008945 0.43392
110 4IAW LIZ 0.005634 0.4326
111 2WBV SIA 0.01575 0.43248
112 3N9O OGA 0.01059 0.43246
113 4MOB ADP 0.009358 0.43245
114 1TZD ADP 0.008503 0.43236
115 4W9N TCL 0.01053 0.43179
116 2HKA C3S 0.00174 0.43162
117 3W9F I3P 0.01784 0.43144
118 3N9Q OGA 0.01102 0.43136
119 1NYW DAU 0.002169 0.43122
120 2Q8C AKG 0.009731 0.43098
121 2Z48 NGA 0.0132 0.43055
122 2Z77 HE7 0.001116 0.42897
123 2Z77 HE7 0.001116 0.42897
124 2Z77 HE7 0.001116 0.42897
125 1OS7 AKG 0.002109 0.428
126 1OS7 TAU 0.002109 0.428
127 2Z48 NGA 0.01411 0.42794
128 1GT4 UNA 0.00383 0.42789
129 2VFT SOR 0.007194 0.42734
130 1UUY PPI 0.01018 0.42666
131 2OVW CBI 0.00913 0.42662
132 1Y2F WAI 0.01229 0.42656
133 1EPB REA 0.004104 0.4265
134 4H2V AMP 0.001896 0.42638
135 3O5N BR0 0.008239 0.42626
136 3O5N BR0 0.008239 0.42626
137 4ASK K0I 0.001577 0.42624
138 4ASK K0I 0.001576 0.42624
139 4W9N TCL 0.01146 0.42618
140 4W9N TCL 0.01146 0.42618
141 1NKI PPF 0.01164 0.42584
142 2OVW CBI 0.009585 0.42555
143 3ACL 3F1 0.004428 0.42498
144 2OVW CBI 0.009861 0.42492
145 1N5S ADL 0.004442 0.42492
146 1UPR 4IP 0.02103 0.42461
147 2PXJ OGA 0.01355 0.42427
148 3EW2 BTN 0.01023 0.4241
149 1W6O LAT 0.01484 0.4239
150 4LBK GAL NAG GAL BGC 0.004838 0.4232
151 1OS7 AKG 0.00226 0.42314
152 1OS7 TAU 0.00226 0.42314
153 2PXJ OGA 0.01435 0.42293
154 2BOS GLA GAL 0.007922 0.42279
155 4M26 AKG 0.01454 0.42181
156 4CS9 AMP 0.0158 0.42139
157 4CCO OGA 0.01423 0.42126
158 1I7E IBS 0.01549 0.42109
159 2DIO EOD 0.006567 0.42092
160 3HCH RSM 0.01613 0.42076
161 1OFL NGK GCD 0.01339 0.41995
162 1GZW GAL BGC 0.01758 0.4195
163 1OIJ AKG 0.007845 0.41922
164 3KV4 OGA 0.01828 0.41809
165 1ZZ7 S0H 0.01636 0.41808
166 4QXB OGA 0.01377 0.41753
167 3W8X FTK 0.009386 0.41748
168 2GMH UQ5 0.002797 0.41588
169 3MF2 AMP 0.002798 0.41587
170 2GC0 PAN 0.005864 0.41564
171 4GGZ BTN 0.01241 0.41558
172 4IAW LIZ 0.01276 0.41498
173 4OJ8 2TQ 0.002952 0.4149
174 1PIG GLC GLC 0.02464 0.414
175 4B7E OGA 0.01926 0.41377
176 3M94 M7M 0.01599 0.41362
177 2RDQ AKG 0.003792 0.4136
178 2QL9 CIT 0.01701 0.41347
179 2BOS GLA GAL 0.009733 0.41344
180 3SAO DBH 0.02275 0.41331
181 2P7Q GG6 0.01672 0.41322
182 4QXB OGA 0.02027 0.41321
183 4AZI OAN 0.01396 0.41305
184 2XOC ADP 0.01941 0.41245
185 2Q8C AKG 0.02298 0.41218
186 2DDQ HRB 0.01469 0.41194
187 2AXR ABL 0.02316 0.41175
188 1I82 BGC BGC 0.02354 0.41171
189 2XUM OGA 0.01659 0.41127
190 2XUM OGA 0.01659 0.41127
191 1RZM E4P 0.02767 0.41117
192 3B00 16A 0.0153 0.41106
193 2HKA C3S 0.006254 0.41088
194 1H2K OGA 0.01681 0.41076
195 3BP1 GUN 0.02468 0.41062
196 3BP1 GUN 0.02468 0.41062
197 4P7X AKG 0.007617 0.4105
198 4P7X YCP 0.007617 0.4105
199 4H2X G5A 0.006576 0.40992
200 4JGP PYR 0.02679 0.40896
201 2Z77 HE7 0.005941 0.40852
202 1M6P M6P 0.0252 0.40824
203 3GL0 HXX 0.01474 0.40797
204 3K4Z CBI 0.02444 0.40744
205 2QX0 PH2 0.03097 0.40707
206 1H2M OGA 0.01967 0.40704
207 3SAO NKN 0.0187 0.40672
208 3MTX PGT 0.005501 0.40628
209 2YG2 S1P 0.006811 0.40594
210 2AGC DAO 0.02327 0.40588
211 4KBC 1QJ 0.0168 0.4052
212 1XNK XS2 0.01684 0.40515
213 1RL4 BL5 0.03344 0.40488
214 2I74 MAN MAN MAN MAN 0.0322 0.40487
215 2OVD DAO 0.03268 0.40433
216 2VQ5 HBA 0.0307 0.40418
217 1RL4 BL5 0.02322 0.40383
218 1SLT NDG GAL 0.03651 0.40378
219 4O9G T46 0.01804 0.40369
220 2P7Q GG6 0.03133 0.40324
221 3P3N AKG 0.02612 0.40277
222 3FW9 SLX 0.01002 0.4018
223 4QDF 30Q 0.01405 0.40178
224 2YG2 FLC 0.003225 0.40167
225 2Y0I AKG 0.03217 0.40157
226 2Z49 AMG 0.02417 0.40154
227 2ZHL NAG GAL GAL NAG 0.02385 0.40144
228 2ZWS PLM 0.02908 0.40107
229 2ZWS PLM 0.02908 0.40107
230 3D8C AKG 0.02442 0.4003
231 3D8C AKG 0.02442 0.4003
232 3C0H AMP 0.03898 0.40022
233 2NZ2 CIR 0.03576 0.40021
234 1CBK ROI 0.03958 0.40014
Pocket No.: 3; Query (leader) PDB : 1GP6; Ligand: SIN; Similar sites found: 234
This union binding pocket(no: 3) in the query (biounit: 1gp6.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4NPL AKG 2.23e-07 0.6791
2 4NPL AKG 4.083e-07 0.66461
3 2IUW AKG 1.187e-06 0.62355
4 2JIG PD2 1.404e-06 0.61985
5 4OCT AKG 1.799e-06 0.60536
6 4OCT AKG 2.187e-06 0.60117
7 2A1X AKG 1.241e-05 0.58184
8 3QRC SCR 9.845e-06 0.57752
9 4J25 OGA 1.709e-05 0.57619
10 3QRC SCR 1.034e-05 0.57604
11 4J25 OGA 1.731e-05 0.57575
12 4J25 OGA 2.436e-05 0.56729
13 4J25 OGA 2.818e-05 0.56425
14 4BQY FNT 1.079e-05 0.55935
15 4J25 OGA 3.712e-05 0.55574
16 4J25 OGA 4.657e-05 0.55225
17 3HQR OGA 1.698e-05 0.54985
18 4J25 OGA 4.232e-05 0.54493
19 4L4J NAG NAG BMA MAN NAG 9.323e-05 0.53605
20 3T4V MD3 1.132e-05 0.532
21 4J25 OGA 8.417e-05 0.52981
22 1ULE GLA GAL NAG 0.0002268 0.52637
23 2FCU AKG 0.0001989 0.52055
24 4BXF AKG 0.0002095 0.52022
25 1ULE GLA GAL NAG 0.0002457 0.51883
26 3VV1 GAL FUC 0.0004129 0.51317
27 2FCU AKG 0.0002881 0.51206
28 1OIJ AKG 0.0002052 0.51026
29 3VV1 GAL FUC 0.0004835 0.50804
30 3WG3 A2G GAL NAG FUC 0.0005404 0.49896
31 1ODM ASV 1.816e-05 0.49716
32 4IGQ OGA 0.0004805 0.4965
33 4IEU 2CO 0.0006734 0.49323
34 3OYW TDG 0.0005954 0.49308
35 1WW5 SGA BGC 0.0007592 0.48965
36 1WW5 SGA BGC 0.0007682 0.48907
37 1UNB AKG 1.022e-05 0.48423
38 4QM9 CYS 0.001068 0.48105
39 1WNB BTL 0.00443 0.48002
40 1WNB BTL 0.00443 0.48002
41 1C1L GAL BGC 0.001176 0.479
42 4LIT AKG 0.001202 0.47786
43 3M3E GAL A2G NPO 0.00145 0.47786
44 2YMZ LAT 0.000499 0.47538
45 3AVR OGA 0.001562 0.47338
46 4JZR 4JR 0.001147 0.47234
47 2ET1 GLV 0.001701 0.47193
48 4NAO AKG 0.001172 0.47176
49 1UNB PN1 1.019e-05 0.47078
50 2D6M LBT 0.001421 0.46997
51 1OIJ AKG 0.001162 0.46971
52 3M3E GAL A2G NPO 0.001992 0.46921
53 1A78 TDG 0.0019 0.46817
54 4QM9 CYS 0.001765 0.46737
55 2D6M LBT 0.001615 0.46493
56 1OIK AKG 0.001942 0.46456
57 3W21 AKG 0.001961 0.46352
58 3SCH TB6 0.002776 0.46318
59 2WA4 069 0.001074 0.46297
60 4IGQ THR M3L GLN 0.0004492 0.46143
61 3H7J PPY 0.0009421 0.46071
62 1YP6 PRZ 0.0006337 0.45926
63 1W6P NDG GAL 0.00276 0.45685
64 4BMB LAT 0.001906 0.45685
65 3KFF ZBT 0.002962 0.45682
66 3KFF XBT 0.002962 0.45682
67 3WG3 A2G GAL NAG FUC 0.002455 0.45559
68 3H7J PPY 0.00127 0.4546
69 4GJY OGA 0.00292 0.45399
70 1GZW GAL BGC 0.003151 0.45348
71 4M1U A2G MBG 0.003536 0.45256
72 1NX4 AKG 0.004277 0.45246
73 3AVS OGA 0.002942 0.4516
74 4CCN OGA 0.003478 0.45106
75 4JH6 FCN 0.003156 0.45005
76 4HON AKG 0.004552 0.4488
77 3WAR NIO 0.009189 0.44712
78 2OG7 SIN 0.002966 0.44604
79 1OJJ GLC GAL 0.003804 0.44594
80 4IE6 UN9 0.000173 0.44565
81 4HON AKG 0.00519 0.44557
82 2YMZ LAT 0.001173 0.44548
83 1QY1 PRZ 0.0008328 0.44547
84 1QY1 PRZ 0.0008328 0.44547
85 4OJ8 AKG 0.0008754 0.44453
86 4HN1 TYD 0.003254 0.4444
87 1OJK GLC BGC 0.004121 0.44417
88 2PNC CLU 0.005768 0.44414
89 3PUA OGA 0.005621 0.4435
90 3N9P OGA 0.006993 0.44333
91 4CCK OGA 0.004998 0.44227
92 1J3R 6PG 0.003637 0.44201
93 4H6B 10Y 0.003772 0.44123
94 1ZX5 LFR 0.01659 0.44059
95 3KV5 OGA 0.008394 0.43884
96 3KV5 OGA 0.008394 0.43884
97 2YBP 2HG 0.00738 0.43842
98 3PUR 2HG 0.007475 0.43838
99 2OS2 OGA 0.007575 0.43785
100 2Q8E OGA 0.007647 0.43758
101 1OIK C26 0.002399 0.43727
102 1OIJ AKG 0.004574 0.43671
103 3RGA LSB 0.002542 0.4361
104 4IAW LIZ 0.005948 0.43608
105 2OS2 OGA 0.008565 0.43494
106 2YBP 2HG 0.008608 0.43479
107 3SAO NKN 0.003421 0.43429
108 3PUR 2HG 0.008935 0.43412
109 2Q8E OGA 0.008945 0.43392
110 4IAW LIZ 0.005634 0.4326
111 2WBV SIA 0.01575 0.43248
112 3N9O OGA 0.01059 0.43246
113 4MOB ADP 0.009358 0.43245
114 1TZD ADP 0.008503 0.43236
115 4W9N TCL 0.01053 0.43179
116 2HKA C3S 0.00174 0.43162
117 3W9F I3P 0.01784 0.43144
118 3N9Q OGA 0.01102 0.43136
119 1NYW DAU 0.002169 0.43122
120 2Q8C AKG 0.009731 0.43098
121 2Z48 NGA 0.0132 0.43055
122 2Z77 HE7 0.001116 0.42897
123 2Z77 HE7 0.001116 0.42897
124 2Z77 HE7 0.001116 0.42897
125 1OS7 AKG 0.002109 0.428
126 1OS7 TAU 0.002109 0.428
127 2Z48 NGA 0.01411 0.42794
128 1GT4 UNA 0.00383 0.42789
129 2VFT SOR 0.007194 0.42734
130 1UUY PPI 0.01018 0.42666
131 2OVW CBI 0.00913 0.42662
132 1Y2F WAI 0.01229 0.42656
133 1EPB REA 0.004104 0.4265
134 4H2V AMP 0.001896 0.42638
135 3O5N BR0 0.008239 0.42626
136 3O5N BR0 0.008239 0.42626
137 4ASK K0I 0.001577 0.42624
138 4ASK K0I 0.001576 0.42624
139 4W9N TCL 0.01146 0.42618
140 4W9N TCL 0.01146 0.42618
141 1NKI PPF 0.01164 0.42584
142 2OVW CBI 0.009585 0.42555
143 3ACL 3F1 0.004428 0.42498
144 2OVW CBI 0.009861 0.42492
145 1N5S ADL 0.004442 0.42492
146 1UPR 4IP 0.02103 0.42461
147 2PXJ OGA 0.01355 0.42427
148 3EW2 BTN 0.01023 0.4241
149 1W6O LAT 0.01484 0.4239
150 4LBK GAL NAG GAL BGC 0.004838 0.4232
151 1OS7 AKG 0.00226 0.42314
152 1OS7 TAU 0.00226 0.42314
153 2PXJ OGA 0.01435 0.42293
154 2BOS GLA GAL 0.007922 0.42279
155 4M26 AKG 0.01454 0.42181
156 4CS9 AMP 0.0158 0.42139
157 4CCO OGA 0.01423 0.42126
158 1I7E IBS 0.01549 0.42109
159 2DIO EOD 0.006567 0.42092
160 3HCH RSM 0.01613 0.42076
161 1OFL NGK GCD 0.01339 0.41995
162 1GZW GAL BGC 0.01758 0.4195
163 1OIJ AKG 0.007845 0.41922
164 3KV4 OGA 0.01828 0.41809
165 1ZZ7 S0H 0.01636 0.41808
166 4QXB OGA 0.01377 0.41753
167 3W8X FTK 0.009386 0.41748
168 2GMH UQ5 0.002797 0.41588
169 3MF2 AMP 0.002798 0.41587
170 2GC0 PAN 0.005864 0.41564
171 4GGZ BTN 0.01241 0.41558
172 4IAW LIZ 0.01276 0.41498
173 4OJ8 2TQ 0.002952 0.4149
174 1PIG GLC GLC 0.02464 0.414
175 4B7E OGA 0.01926 0.41377
176 3M94 M7M 0.01599 0.41362
177 2RDQ AKG 0.003792 0.4136
178 2QL9 CIT 0.01701 0.41347
179 2BOS GLA GAL 0.009733 0.41344
180 3SAO DBH 0.02275 0.41331
181 2P7Q GG6 0.01672 0.41322
182 4QXB OGA 0.02027 0.41321
183 4AZI OAN 0.01396 0.41305
184 2XOC ADP 0.01941 0.41245
185 2Q8C AKG 0.02298 0.41218
186 2DDQ HRB 0.01469 0.41194
187 2AXR ABL 0.02316 0.41175
188 1I82 BGC BGC 0.02354 0.41171
189 2XUM OGA 0.01659 0.41127
190 2XUM OGA 0.01659 0.41127
191 1RZM E4P 0.02767 0.41117
192 3B00 16A 0.0153 0.41106
193 2HKA C3S 0.006254 0.41088
194 1H2K OGA 0.01681 0.41076
195 3BP1 GUN 0.02468 0.41062
196 3BP1 GUN 0.02468 0.41062
197 4P7X AKG 0.007617 0.4105
198 4P7X YCP 0.007617 0.4105
199 4H2X G5A 0.006576 0.40992
200 4JGP PYR 0.02679 0.40896
201 2Z77 HE7 0.005941 0.40852
202 1M6P M6P 0.0252 0.40824
203 3GL0 HXX 0.01474 0.40797
204 3K4Z CBI 0.02444 0.40744
205 2QX0 PH2 0.03097 0.40707
206 1H2M OGA 0.01967 0.40704
207 3SAO NKN 0.0187 0.40672
208 3MTX PGT 0.005501 0.40628
209 2YG2 S1P 0.006811 0.40594
210 2AGC DAO 0.02327 0.40588
211 4KBC 1QJ 0.0168 0.4052
212 1XNK XS2 0.01684 0.40515
213 1RL4 BL5 0.03344 0.40488
214 2I74 MAN MAN MAN MAN 0.0322 0.40487
215 2OVD DAO 0.03268 0.40433
216 2VQ5 HBA 0.0307 0.40418
217 1RL4 BL5 0.02322 0.40383
218 1SLT NDG GAL 0.03651 0.40378
219 4O9G T46 0.01804 0.40369
220 2P7Q GG6 0.03133 0.40324
221 3P3N AKG 0.02612 0.40277
222 3FW9 SLX 0.01002 0.4018
223 4QDF 30Q 0.01405 0.40178
224 2YG2 FLC 0.003225 0.40167
225 2Y0I AKG 0.03217 0.40157
226 2Z49 AMG 0.02417 0.40154
227 2ZHL NAG GAL GAL NAG 0.02385 0.40144
228 2ZWS PLM 0.02908 0.40107
229 2ZWS PLM 0.02908 0.40107
230 3D8C AKG 0.02442 0.4003
231 3D8C AKG 0.02442 0.4003
232 3C0H AMP 0.03898 0.40022
233 2NZ2 CIR 0.03576 0.40021
234 1CBK ROI 0.03958 0.40014
Feedback