Receptor
PDB id Resolution Class Description Source Keywords
1BX4 1.5 Å EC: 2.7.1.20 STRUCTURE OF HUMAN ADENOSINE KINASE AT 1.50 ANGSTROMS HOMO SAPIENS HUMAN ADENOSINE KINASE TRANSFERASE
Ref.: STRUCTURE OF HUMAN ADENOSINE KINASE AT 1.5 A RESOLUTION. BIOCHEMISTRY V. 37 15607 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADN A:350;
A:355;
Valid;
Valid;
none;
none;
submit data
267.241 C10 H13 N5 O4 c1nc(...
CL A:380;
A:385;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
MG A:360;
A:365;
A:375;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2I6A 2.2 Å EC: 2.7.1.20 HUMAN ADENOSINE KINASE IN COMPLEX WITH 5'-DEOXY-5- IODOTUBERCIDIN HOMO SAPIENS PROTEIN-LIGAND COMPLEX 5-prime -DEOXY-5-IODOTUBERCIDIN TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF HUMAN ADENOSINE KINASE INHIBITOR COMPLEXES REVEAL TWO DISTINCT BINDING MODES. J.MED.CHEM. V. 49 6726 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2I6B ic50 = 68 nM 89I C23 H24 N6 O CN(C)c1ccc....
2 4O1L ic50 = 0.2 uM HO4 C13 H14 N4 O4 C#Cc1cn(c2....
3 2I6A ic50 = 0.9 nM 5I5 C11 H13 I N4 O3 CC1C(C(C(O....
4 1BX4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2I6B ic50 = 68 nM 89I C23 H24 N6 O CN(C)c1ccc....
2 4O1L ic50 = 0.2 uM HO4 C13 H14 N4 O4 C#Cc1cn(c2....
3 2I6A ic50 = 0.9 nM 5I5 C11 H13 I N4 O3 CC1C(C(C(O....
4 1BX4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2I6B ic50 = 68 nM 89I C23 H24 N6 O CN(C)c1ccc....
2 4O1L ic50 = 0.2 uM HO4 C13 H14 N4 O4 C#Cc1cn(c2....
3 2I6A ic50 = 0.9 nM 5I5 C11 H13 I N4 O3 CC1C(C(C(O....
4 1BX4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
5 2AB8 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
6 3LOO Ki = 860 nM B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
7 3OTX ic50 = 29.4 uM AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADN; Similar ligands found: 247
No: Ligand ECFP6 Tc MDL keys Tc
1 RAB 1 1
2 XYA 1 1
3 ADN 1 1
4 5N5 0.811321 0.967742
5 5CD 0.796296 0.920635
6 A4D 0.796296 0.967742
7 MTA 0.758621 0.878788
8 EP4 0.754386 0.852941
9 M2T 0.741379 0.828571
10 DTA 0.741379 0.865672
11 AMP 0.709677 0.842857
12 A 0.709677 0.842857
13 3DH 0.704918 0.878788
14 ZAS 0.68254 0.84058
15 5AD 0.672727 0.854839
16 SRA 0.671875 0.797297
17 AMP MG 0.661538 0.819444
18 DSH 0.661538 0.842857
19 AOC 0.661538 0.907692
20 A3N 0.651515 0.923077
21 A2D 0.651515 0.84507
22 ABM 0.651515 0.819444
23 ADP 0.647059 0.84507
24 S4M 0.641791 0.766234
25 3AM 0.640625 0.828571
26 A12 0.632353 0.810811
27 BA3 0.632353 0.84507
28 AP2 0.632353 0.810811
29 MAO 0.632353 0.75641
30 NOS 0.631579 0.935484
31 AP5 0.623188 0.84507
32 B4P 0.623188 0.84507
33 5AS 0.623188 0.714286
34 ATP 0.619718 0.84507
35 A7D 0.614286 0.909091
36 SON 0.614286 0.786667
37 AQP 0.611111 0.84507
38 5FA 0.611111 0.84507
39 APC 0.611111 0.810811
40 2FA 0.606557 0.924242
41 26A 0.606557 0.893939
42 M33 0.605634 0.833333
43 ADX 0.605634 0.759494
44 MHZ 0.605634 0.75641
45 ADP MG 0.605634 0.808219
46 CA0 0.605634 0.821918
47 AU1 0.605634 0.821918
48 AGS 0.60274 0.8
49 SAP 0.60274 0.8
50 AD9 0.60274 0.821918
51 2AM 0.6 0.842857
52 ADP BEF 0.597222 0.786667
53 50T 0.597222 0.833333
54 BEF ADP 0.597222 0.786667
55 SFG 0.597222 0.850746
56 ACP 0.597222 0.821918
57 MTP 0.590164 0.852941
58 APR 0.589041 0.84507
59 AR6 0.589041 0.84507
60 PRX 0.589041 0.797297
61 A3G 0.588235 0.938462
62 TAT 0.586667 0.810811
63 ACQ 0.586667 0.821918
64 A3P 0.585714 0.816901
65 A5D 0.581081 0.865672
66 RBY 0.581081 0.810811
67 SA8 0.581081 0.794521
68 ADP PO3 0.581081 0.842857
69 ADV 0.581081 0.810811
70 1DA 0.580645 1
71 6MD 0.580645 0.952381
72 ADQ 0.575 0.847222
73 OVE 0.573529 0.808219
74 ATP MG 0.573333 0.808219
75 SAI 0.573333 0.828571
76 G5A 0.573333 0.714286
77 SAH 0.573333 0.84058
78 A22 0.56962 0.833333
79 SAM 0.565789 0.773333
80 GAP 0.565789 0.821918
81 ANP 0.565789 0.821918
82 NEC 0.565217 0.876923
83 3AD 0.564516 0.951613
84 25A 0.5625 0.819444
85 EEM 0.558442 0.773333
86 5AL 0.558442 0.808219
87 AAT 0.558442 0.819444
88 ALF ADP 0.551282 0.776316
89 ADP ALF 0.551282 0.776316
90 A5A 0.551282 0.719512
91 ATF 0.551282 0.810811
92 CC5 0.55 0.935484
93 A3S 0.547945 0.953125
94 SRP 0.544304 0.810811
95 SMM 0.544304 0.74359
96 SSA 0.544304 0.73494
97 ADP VO4 0.544304 0.808219
98 ANP MG 0.544304 0.776316
99 S7M 0.544304 0.773333
100 QQX 0.544118 0.756757
101 ADP BMA 0.542169 0.847222
102 A2P 0.541667 0.802817
103 3D1 0.539683 0.907692
104 3L1 0.539683 0.907692
105 PAP 0.539474 0.830986
106 VMS 0.5375 0.702381
107 52H 0.5375 0.694118
108 54H 0.5375 0.702381
109 LSS 0.536585 0.678161
110 ACK 0.536232 0.811594
111 QQY 0.536232 0.767123
112 A3T 0.533333 0.968254
113 53H 0.530864 0.694118
114 DAL AMP 0.530864 0.808219
115 5CA 0.530864 0.73494
116 MAP 0.530864 0.8
117 TSB 0.530864 0.731707
118 GEK 0.52439 0.805556
119 OAD 0.52381 0.821918
120 25L 0.523256 0.833333
121 PA7 0.520548 0.826087
122 PPS 0.518987 0.7375
123 PAJ 0.518072 0.792208
124 NSS 0.518072 0.714286
125 DSZ 0.518072 0.714286
126 A1R 0.518072 0.813333
127 4AD 0.518072 0.8
128 0UM 0.518072 0.808219
129 AMO 0.518072 0.810811
130 6CR 0.515152 0.910448
131 SP1 0.514286 0.77027
132 RP1 0.514286 0.77027
133 2VA 0.513158 0.938462
134 00A 0.511905 0.766234
135 NVA LMS 0.511905 0.678161
136 DLL 0.511905 0.808219
137 AHX 0.511905 0.802632
138 ME8 0.511628 0.728395
139 3OD 0.511628 0.821918
140 PTJ 0.511628 0.75641
141 V3L 0.506329 0.819444
142 LEU LMS 0.505882 0.678161
143 A6D 0.505882 0.763158
144 K15 0.505882 0.763158
145 AD3 0.5 1
146 GSU 0.5 0.694118
147 KAA 0.5 0.689655
148 P5A 0.5 0.681818
149 2BA 0.5 0.814286
150 CMP 0.5 0.826087
151 LAD 0.5 0.769231
152 5F1 0.5 0.80597
153 NVA 2AD 0.5 0.867647
154 PR8 0.5 0.759494
155 ATR 0.5 0.816901
156 ATP A A A 0.494382 0.830986
157 TXA 0.494253 0.810811
158 BIS 0.494253 0.789474
159 NB8 0.494253 0.779221
160 FYA 0.494253 0.808219
161 1ZZ 0.494253 0.728395
162 IVH 0.493333 0.835616
163 MYR AMP 0.488636 0.728395
164 2A5 0.487179 0.797297
165 NOC 0.484375 0.903226
166 A2R 0.481928 0.833333
167 YAP 0.477778 0.776316
168 FA5 0.477778 0.786667
169 D3Y 0.47619 0.924242
170 AFH 0.473118 0.792208
171 AR6 AR6 0.473118 0.819444
172 XAH 0.472527 0.75
173 YSA 0.472527 0.694118
174 TBN 0.46875 0.983607
175 3BH 0.46875 0.953125
176 AMP DBH 0.467391 0.821918
177 101 0.465753 0.780822
178 LAQ 0.463158 0.728395
179 TO1 0.462687 0.952381
180 G3A 0.462366 0.779221
181 UPA 0.459184 0.813333
182 LPA AMP 0.458333 0.728395
183 7MD 0.457447 0.772152
184 G5P 0.457447 0.779221
185 A A A 0.454545 0.808219
186 5ID 0.454545 0.923077
187 TAD 0.452632 0.769231
188 GTA 0.452632 0.75
189 KH3 0.452632 0.776316
190 3NZ 0.449438 0.884058
191 TYM 0.44898 0.786667
192 WSA 0.44898 0.702381
193 AHZ 0.447917 0.728395
194 139 0.445545 0.782051
195 YLP 0.443299 0.731707
196 ARJ 0.441176 0.857143
197 AFX 0.441176 0.768116
198 AV2 0.440476 0.77027
199 DA 0.44 0.756757
200 D5M 0.44 0.756757
201 NXX 0.438776 0.810811
202 NAX 0.438776 0.759494
203 NAI 0.438776 0.789474
204 TXD 0.438776 0.789474
205 DND 0.438776 0.810811
206 UP5 0.438776 0.8
207 PO4 PO4 A A A A PO4 0.438202 0.802817
208 NA7 0.438202 0.810811
209 MZR 0.4375 0.859375
210 V1N 0.43617 0.819444
211 HO4 0.434783 0.952381
212 LA8 ALF 3PG 0.434343 0.746835
213 ALF ADP 3PG 0.434343 0.746835
214 AF3 ADP 3PG 0.434343 0.746835
215 IMO 0.434211 0.777778
216 3AT 0.433735 0.819444
217 G A A A 0.432692 0.779221
218 YLB 0.43 0.731707
219 YLC 0.43 0.75
220 7MC 0.43 0.753086
221 4TC 0.43 0.779221
222 AP0 0.43 0.779221
223 BS5 0.427184 0.674157
224 A4P 0.425743 0.73494
225 IOT 0.421569 0.722892
226 DAT 0.419753 0.76
227 COD 0.419048 0.72619
228 YLA 0.417476 0.731707
229 T5A 0.417476 0.731707
230 ADJ 0.417476 0.740741
231 J1D 0.415094 0.625
232 0XU 0.414634 0.823529
233 AYB 0.413462 0.722892
234 CNA 0.413462 0.810811
235 103 0.413333 0.716216
236 A U 0.411765 0.8
237 GMP 0.410959 0.882353
238 NAD IBO 0.409524 0.776316
239 GGZ 0.409091 0.7125
240 ITT 0.407407 0.791667
241 4TA 0.40566 0.719512
242 BTX 0.40566 0.710843
243 NAD 0.40566 0.808219
244 SFB 0.401961 0.709302
245 BT5 0.401869 0.702381
246 DZD 0.401869 0.769231
247 DTP 0.4 0.76
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2I6A; Ligand: 5I5; Similar sites found: 77
This union binding pocket(no: 1) in the query (biounit: 2i6a.bio3) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2HW1 FRU 1.061e-06 0.62849
2 1UA4 BGC 7.883e-06 0.56971
3 1UA4 GLC 7.883e-06 0.56971
4 2C49 ADN 1.403e-06 0.56586
5 3B1Q NOS 5.181e-06 0.54097
6 3B1Q NOS 4.114e-06 0.53887
7 1V1A KDG 7.201e-05 0.52224
8 3NC9 TR3 0.0001935 0.49488
9 2VAR KDF 3.867e-05 0.47107
10 2VAR KDG 4.141e-05 0.46915
11 3ZJX BOG 0.001576 0.46702
12 2JG1 TA6 4.982e-05 0.46017
13 2B7N NTM 0.001977 0.45962
14 3ZJX BOG 0.002913 0.45147
15 3ZJX BOG 0.002931 0.45116
16 3ZJX BOG 0.003132 0.44978
17 4H6B 10X 0.001522 0.44629
18 4H6B 10X 0.001542 0.44602
19 2CJU PHX 0.004007 0.44459
20 4DSU BZI 0.005096 0.43893
21 1ULE GLA GAL NAG 0.004106 0.43689
22 2X4Z X4Z 0.003707 0.43212
23 3WG3 A2G GAL NAG FUC 0.007534 0.42827
24 4LU3 AZM 0.006094 0.42691
25 4AQ4 G3P 0.008037 0.42574
26 2WZ5 MET 0.006386 0.42318
27 1U1J MET 0.01163 0.42154
28 1RKD ADP 2.276e-05 0.42138
29 3JQ3 ADP 0.006384 0.4213
30 3JQ3 ADP 0.006384 0.4213
31 2NZ2 CIR 0.01064 0.41953
32 1RKD RIB 1.888e-05 0.41924
33 1DZK PRZ 0.00492 0.41809
34 3HEE R5P 0.00959 0.41714
35 4H6B 10Y 0.007846 0.41697
36 4KBC 1QJ 0.006759 0.4158
37 4KBC 1QJ 0.006759 0.4158
38 3UYT 0CK 0.003134 0.41516
39 3PH4 AOS 0.01055 0.41509
40 1RYO OXL 0.02271 0.41414
41 1OFL NGK GCD 0.01433 0.41403
42 4H6B 10X 0.01125 0.41369
43 3BRN SRO 0.01522 0.41367
44 1DZK PRZ 0.005135 0.41328
45 4LWU 20U 0.006618 0.41216
46 3KFF ZBT 0.01497 0.41195
47 3KFF XBT 0.01497 0.41195
48 3I7V ATP 0.01676 0.40949
49 2DW7 SRT 0.01414 0.40875
50 1GG6 APL 0.01061 0.40756
51 1S14 NOV 0.01836 0.40741
52 2DW7 SRT 0.01521 0.40718
53 4FHT DHB 0.02107 0.40706
54 1S14 NOV 0.01903 0.40662
55 1I82 BGC BGC 0.02084 0.40631
56 3UZP 0CK 0.005047 0.40627
57 3UZP 0CK 0.005047 0.40627
58 1Z03 OCH 0.01949 0.40609
59 1FM4 DXC 0.02497 0.406
60 4JH6 FCN 0.01613 0.40591
61 3BRN SRO 0.02154 0.40589
62 2Q2R BGC 0.02025 0.40549
63 2XZ9 PYR 0.02292 0.4046
64 4PTN GXV 0.02245 0.40445
65 1Y0G 8PP 0.0231 0.40346
66 2EB5 OXL 0.02155 0.40344
67 4KBA 1QM 0.008532 0.40335
68 1GT4 UNA 0.008548 0.40332
69 2GN2 C5P 0.01696 0.40271
70 1Y0G 8PP 0.02473 0.40205
71 1Z03 OCH 0.02348 0.40194
72 1Z03 OCH 0.02348 0.40194
73 3O2K DST 0.02386 0.40158
74 2CHN NGT 0.01136 0.40135
75 1VBO MAN 0.02577 0.40117
76 1Q8A HCS 0.02559 0.4009
77 4IEU 2CO 0.02509 0.40082
Pocket No.: 2; Query (leader) PDB : 2I6A; Ligand: 5I5; Similar sites found: 67
This union binding pocket(no: 2) in the query (biounit: 2i6a.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2HW1 FRU 2.003e-06 0.61901
2 1UA4 BGC 1.037e-05 0.56895
3 1UA4 GLC 1.037e-05 0.56895
4 2C49 ADN 2.395e-06 0.56113
5 3B1Q NOS 6.343e-06 0.54236
6 3B1Q NOS 5.877e-06 0.53748
7 1V1A KDG 0.0001012 0.51954
8 3NC9 TR3 0.000453 0.46931
9 3ZJX BOG 0.002465 0.461
10 2B7N NTM 0.003322 0.45155
11 2VAR KDF 6.539e-05 0.44754
12 3ZJX BOG 0.004289 0.44656
13 3ZJX BOG 0.004484 0.44558
14 3ZJX BOG 0.004545 0.44522
15 2VAR KDG 7.881e-05 0.44472
16 2JG1 TA6 6.245e-05 0.44137
17 2CJU PHX 0.00557 0.44015
18 4H6B 10X 0.002601 0.43921
19 4H6B 10X 0.002612 0.43912
20 1KUJ MMA 0.007521 0.43238
21 4AQ4 G3P 0.00985 0.42481
22 1U1J MET 0.01207 0.42463
23 1DZK PRZ 0.004442 0.42388
24 2X4Z X4Z 0.004189 0.42287
25 1RKD ADP 5.294e-05 0.42146
26 4LU3 AZM 0.009326 0.42132
27 3I7V ATP 0.01354 0.42113
28 3WG3 A2G GAL NAG FUC 0.01254 0.42009
29 1RKD RIB 4.284e-05 0.41968
30 1ULE GLA GAL NAG 0.007571 0.41677
31 2HZL PYR 0.01342 0.41559
32 1DZK PRZ 0.005625 0.41519
33 3PGU OLA 0.01073 0.41393
34 3JQ3 ADP 0.01081 0.41379
35 3JQ3 ADP 0.01081 0.41379
36 2WZ5 MET 0.009397 0.41367
37 2J5V PCA 0.02253 0.41168
38 4AMF ACP 0.0177 0.41073
39 3KFF XBT 0.01867 0.41047
40 3KFF ZBT 0.01867 0.41047
41 3MB6 01I 0.02164 0.40896
42 3UYT 0CK 0.005343 0.40891
43 3HEE R5P 0.0171 0.40809
44 3BRN SRO 0.02246 0.40804
45 4H6B 10X 0.01729 0.40785
46 2DW7 SRT 0.01772 0.40731
47 4LWU 20U 0.01039 0.40669
48 3PH4 AOS 0.01843 0.40645
49 1BHX ASP PHE GLU GLU ILE 0.01534 0.40633
50 1Z03 OCH 0.02308 0.40569
51 2DW7 SRT 0.01979 0.40488
52 4FHT DHB 0.02718 0.40446
53 1I82 BGC BGC 0.0259 0.40443
54 2DW7 SRT 0.0203 0.40433
55 1Y0G 8PP 0.01691 0.40413
56 2Q2R BGC 0.02478 0.40346
57 1KR3 113 0.02598 0.40302
58 2FN1 SAL 0.02155 0.40302
59 3BRN SRO 0.02886 0.40234
60 1Z03 OCH 0.02694 0.4022
61 1Z03 OCH 0.02694 0.4022
62 2CHN NGT 0.01302 0.40213
63 1VMK GUN 0.02394 0.40212
64 4DSU BZI 0.02604 0.40191
65 2BOS GLA GAL 0.01313 0.40189
66 3IAI AZM 0.02828 0.40149
67 4RLL E91 0.02998 0.4011
Pocket No.: 3; Query (leader) PDB : 2I6A; Ligand: 5I5; Similar sites found: 77
This union binding pocket(no: 3) in the query (biounit: 2i6a.bio4) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2HW1 FRU 6.846e-07 0.63531
2 1UA4 GLC 8.362e-06 0.56567
3 1UA4 BGC 8.362e-06 0.56567
4 2C49 ADN 1.8e-06 0.55815
5 3B1Q NOS 5.843e-06 0.53586
6 1V1A KDG 3.619e-05 0.5344
7 3B1Q NOS 3.624e-06 0.53391
8 3NC9 TR3 0.0001504 0.50497
9 2VAR KDF 3.409e-05 0.48131
10 2VAR KDG 4.81e-05 0.4752
11 2JG1 TA6 5.7e-05 0.46669
12 3ZJX BOG 0.001608 0.464
13 2CJU PHX 0.002675 0.45299
14 3ZJX BOG 0.003172 0.44739
15 3ZJX BOG 0.003199 0.44722
16 3ZJX BOG 0.00338 0.44594
17 2WZ5 MET 0.004756 0.43205
18 1U1J MET 0.008017 0.43144
19 3WG3 A2G GAL NAG FUC 0.006339 0.43037
20 4DSU BZI 0.007569 0.42691
21 4AQ4 G3P 0.008185 0.4234
22 2X4Z X4Z 0.006915 0.42317
23 1RKD ADP 1.546e-05 0.42032
24 3BRN SRO 0.01177 0.4178
25 3JQ3 ADP 0.007022 0.41734
26 3JQ3 ADP 0.007022 0.41734
27 3I51 45C 0.005747 0.41714
28 1DZK PRZ 0.004755 0.41677
29 2NZ2 CIR 0.0112 0.4165
30 1ULE GLA GAL NAG 0.007329 0.41611
31 1RKD RIB 1.515e-05 0.41561
32 4O8A FAD 0.009776 0.41375
33 4O8A FAD 0.009776 0.41375
34 1OFL NGK GCD 0.01391 0.41273
35 4KBC 1QJ 0.00751 0.41169
36 4KBC 1QJ 0.00751 0.41169
37 1VBO MAN 0.00979 0.41115
38 1Q6O LG6 0.003445 0.41077
39 1Q6O LG6 0.003445 0.41077
40 4IEU 2CO 0.01544 0.41051
41 1FM4 DXC 0.02384 0.40992
42 4LWU 20U 0.006873 0.40945
43 3I7V ATP 0.01511 0.40918
44 4H6B 10X 0.008744 0.40859
45 4LU3 AZM 0.01329 0.40822
46 2Z49 AMG 0.01259 0.4076
47 3HEE R5P 0.01376 0.40748
48 3PH4 AOS 0.0139 0.40725
49 4JH6 FCN 0.01415 0.40687
50 4H6B 10X 0.009666 0.40655
51 3KFF XBT 0.01768 0.40641
52 3KFF ZBT 0.01768 0.40641
53 2EB5 OXL 0.01789 0.40618
54 1I82 BGC BGC 0.02 0.40577
55 2CHN NGT 0.008554 0.4051
56 4FHT DHB 0.0214 0.4048
57 2J07 HDF 0.03341 0.40421
58 2J07 FAD 0.03341 0.40421
59 2J07 FAD 0.03341 0.40421
60 2J07 HDF 0.03341 0.40421
61 4W6Z 8ID 0.02065 0.40403
62 4AVV CD 0.02016 0.40398
63 4AVV GHE 0.02016 0.40398
64 1Y0G 8PP 0.02628 0.4037
65 4L2I NAD 0.03074 0.4029
66 1S14 NOV 0.0211 0.4025
67 1Y9Q MED 0.02316 0.40197
68 1GT4 UNA 0.008335 0.40187
69 4ADM SRT 0.01821 0.40144
70 4COQ SAN 0.01995 0.40133
71 2OFD NGA 0.02383 0.40122
72 2OFD NGA 0.02383 0.40122
73 2Q2R BGC 0.02229 0.40104
74 2EG7 OTD 0.01272 0.40095
75 1H8S AIC 0.01876 0.4008
76 4KBA 1QM 0.01319 0.40021
77 1DZK PRZ 0.009118 0.40013
Pocket No.: 4; Query (leader) PDB : 2I6A; Ligand: 5I5; Similar sites found: 56
This union binding pocket(no: 4) in the query (biounit: 2i6a.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2HW1 FRU 5.72e-07 0.63946
2 1UA4 GLC 7.741e-06 0.56732
3 1UA4 BGC 7.741e-06 0.56732
4 2C49 ADN 1.485e-06 0.56179
5 3B1Q NOS 4.346e-06 0.54146
6 3B1Q NOS 2.773e-06 0.53861
7 1V1A KDG 6.536e-05 0.52179
8 3NC9 TR3 0.0001207 0.50948
9 2VAR KDF 2.521e-05 0.48675
10 2VAR KDG 2.859e-05 0.48416
11 2JG1 TA6 4.101e-05 0.47145
12 3ZJX BOG 0.002266 0.45675
13 2CJU PHX 0.002551 0.455
14 3ZJX BOG 0.003952 0.44255
15 3ZJX BOG 0.003975 0.44244
16 3ZJX BOG 0.004186 0.44125
17 4DSU BZI 0.00675 0.42976
18 2X4Z X4Z 0.005176 0.42905
19 4AQ4 G3P 0.007044 0.4267
20 1RKD ADP 1.431e-05 0.4213
21 2NZ2 CIR 0.009123 0.42101
22 1U1J MET 0.01122 0.42041
23 3WG3 A2G GAL NAG FUC 0.009851 0.42025
24 2WZ5 MET 0.006618 0.41923
25 1DZK PRZ 0.004343 0.41857
26 1RKD RIB 1.4e-05 0.41657
27 3I51 45C 0.005936 0.41648
28 3JQ3 ADP 0.00737 0.41633
29 3JQ3 ADP 0.00737 0.41633
30 3KFF XBT 0.0133 0.4127
31 3KFF ZBT 0.0133 0.4127
32 3HEE R5P 0.01149 0.41135
33 1ULE GLA GAL NAG 0.008116 0.41131
34 1RYO OXL 0.02283 0.41105
35 4LU3 AZM 0.01183 0.41071
36 3I7V ATP 0.01521 0.41055
37 3BRN SRO 0.01616 0.41047
38 1I82 BGC BGC 0.01606 0.41039
39 2Q2R BGC 0.01533 0.40995
40 3PH4 AOS 0.0127 0.40919
41 1VBO MAN 0.01047 0.40724
42 1DZK PRZ 0.006509 0.40668
43 4W6Z 8ID 0.01952 0.40519
44 4H6B 10X 0.01033 0.40519
45 2Z48 A2G 0.01398 0.40463
46 2Z48 A2G 0.01382 0.40461
47 1Y0G 8PP 0.02555 0.40429
48 4JH6 FCN 0.01599 0.40424
49 1Y0G 8PP 0.02639 0.40361
50 3WG3 A2G GAL NAG FUC 0.01685 0.40311
51 4H6B 10X 0.01144 0.40311
52 1Y9Q MED 0.02261 0.40242
53 1GT4 UNA 0.008553 0.40137
54 1OFL NGK GCD 0.02191 0.40098
55 1FM4 DXC 0.03667 0.4007
56 3K4Z CBI 0.02807 0.40042
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