Receptor
PDB id Resolution Class Description Source Keywords
2ORV 2.3 Å EC: 2.7.1.21 HUMAN THYMIDINE KINASE 1 IN COMPLEX WITH TP4A HOMO SAPIENS TK-1 (THYMIDINE KINASE 1) TP4A (P1-(5-prime -ADENOSYL)P4-(5-prime - (2-prime DEOXYTHYMIDIL))TETRAPHOSPHATE TRANSFERASE
Ref.: BINDING OF ATP TO TK1-LIKE ENZYMES IS ASSOCIATED WI CONFORMATIONAL CHANGE IN THE QUATERNARY STRUCTURE. J.MOL.BIOL. V. 369 129 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4TA A:801;
B:802;
Valid;
Valid;
none;
none;
Kd = 29 nM
807.342 C20 H25 N7 O20 P4 CC1=C...
ZN A:235;
B:235;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ORV 2.3 Å EC: 2.7.1.21 HUMAN THYMIDINE KINASE 1 IN COMPLEX WITH TP4A HOMO SAPIENS TK-1 (THYMIDINE KINASE 1) TP4A (P1-(5-prime -ADENOSYL)P4-(5-prime - (2-prime DEOXYTHYMIDIL))TETRAPHOSPHATE TRANSFERASE
Ref.: BINDING OF ATP TO TK1-LIKE ENZYMES IS ASSOCIATED WI CONFORMATIONAL CHANGE IN THE QUATERNARY STRUCTURE. J.MOL.BIOL. V. 369 129 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2ORV Kd = 29 nM 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1XBT - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
2 1W4R - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
3 2WVJ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
4 2ORV Kd = 29 nM 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1XBT - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
2 1W4R - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
3 2WVJ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
4 4UXH ic50 = 1.1 uM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
5 2ORV Kd = 29 nM 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
6 1XX6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 5FUV - THM C10 H14 N2 O5 CC1=CN(C(=....
8 5FUW - QBT C10 H17 N2 O8 P C[C@H]1CN(....
9 5FUX - QBT C10 H17 N2 O8 P C[C@H]1CN(....
10 2ORW - 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
11 2QQ0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 2QQE - THM C10 H14 N2 O5 CC1=CN(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4TA; Similar ligands found: 218
No: Ligand ECFP6 Tc MDL keys Tc
1 4TA 1 1
2 T5A 0.778761 0.963415
3 Z5A 0.775 0.940476
4 ADP PO3 0.622642 0.85
5 ATP MG 0.616822 0.819277
6 PAX 0.613636 0.951219
7 ALF ADP 0.585586 0.790698
8 ADP ALF 0.585586 0.790698
9 ADP MG 0.579439 0.819277
10 BEF ADP 0.574074 0.8
11 ADP BEF 0.574074 0.8
12 ADP VO4 0.566372 0.819277
13 VO4 ADP 0.566372 0.819277
14 ATP A A A 0.553719 0.8625
15 ADP BMA 0.550847 0.831325
16 DA DT DA DA 0.539568 0.962963
17 ANP MG 0.53913 0.790698
18 ADS THS THS THS 0.525926 0.905882
19 AMP MG 0.523364 0.807229
20 ABM 0.518519 0.807229
21 AHZ 0.515625 0.786517
22 GAP 0.513043 0.831325
23 AR6 AR6 0.511811 0.851852
24 AMP 0.504673 0.804878
25 A 0.504673 0.804878
26 A2D 0.504587 0.829268
27 ADP 0.504505 0.807229
28 DAL AMP 0.504202 0.864198
29 MYR AMP 0.5 0.827586
30 NAJ PZO 0.5 0.902439
31 139 0.5 0.903614
32 A A 0.495935 0.829268
33 M33 0.495575 0.819277
34 BA3 0.495495 0.829268
35 A12 0.495495 0.821429
36 AP2 0.495495 0.821429
37 TMP 0.495327 0.817073
38 NAD IBO 0.492647 0.855422
39 ALF ADP 3PG 0.492424 0.804598
40 AF3 ADP 3PG 0.492424 0.804598
41 LA8 ALF 3PG 0.492424 0.804598
42 B4P 0.491071 0.829268
43 AP5 0.491071 0.829268
44 ANP 0.487179 0.788235
45 APC 0.486957 0.821429
46 AN2 0.486726 0.797619
47 TYD 0.486486 0.807229
48 AD9 0.482759 0.788235
49 ADX 0.482456 0.736264
50 ACP 0.478261 0.809524
51 ATP 0.478261 0.807229
52 NAJ PYZ 0.475524 0.795455
53 AR6 0.474138 0.807229
54 PRX 0.474138 0.809524
55 5FA 0.474138 0.807229
56 AQP 0.474138 0.807229
57 APR 0.474138 0.807229
58 A4P 0.474074 0.811111
59 UP5 0.473684 0.878049
60 AMP DBH 0.472868 0.809524
61 SRA 0.472727 0.767442
62 A1R 0.471545 0.845238
63 A3D 0.471429 0.876543
64 ADV 0.470085 0.821429
65 AGS 0.470085 0.770115
66 RBY 0.470085 0.821429
67 SAP 0.470085 0.770115
68 AU1 0.469565 0.788235
69 TTP 0.469565 0.807229
70 CA0 0.469565 0.809524
71 NAD 0.467626 0.864198
72 G A A A 0.467626 0.813953
73 ATF 0.466667 0.77907
74 4TC 0.466667 0.879518
75 50T 0.465517 0.776471
76 TYR AMP 0.465116 0.865854
77 PO4 PO4 A A A A PO4 0.464 0.8375
78 DAU 0.464 0.821429
79 5SV 0.463415 0.793103
80 A U 0.463235 0.901235
81 ACQ 0.462185 0.809524
82 TAT 0.462185 0.77907
83 GTA 0.462121 0.806818
84 T3F 0.460317 0.845238
85 PR8 0.460317 0.837209
86 T3Q 0.460317 0.845238
87 5AL 0.458333 0.841463
88 G3A 0.458015 0.793103
89 1ZZ 0.456693 0.806818
90 CNV FAD 0.45625 0.865169
91 MAP 0.455285 0.770115
92 NAQ 0.455172 0.835294
93 G5P 0.454545 0.793103
94 U A G G 0.453901 0.823529
95 DT DT DT DT DT 0.452381 0.831325
96 OAD 0.452381 0.831325
97 5AS 0.452174 0.715789
98 AMP NAD 0.452055 0.865854
99 6V0 0.451852 0.879518
100 3YN 0.448819 0.8
101 TXE 0.448529 0.86747
102 NAE 0.448276 0.855422
103 SON 0.448276 0.843373
104 ADQ 0.448 0.809524
105 3OD 0.445312 0.831325
106 AP0 0.445255 0.879518
107 UPA 0.445255 0.86747
108 3R2 0.444444 0.811765
109 FAD NBT 0.444444 0.819149
110 TDX 0.444444 0.831325
111 LPA AMP 0.444444 0.806818
112 A22 0.443548 0.819277
113 FAD CNX 0.442424 0.831579
114 ZID 0.442177 0.853659
115 DT DT PST 0.44186 0.821429
116 0FX 0.44186 0.845238
117 NAI 0.441176 0.890244
118 TXD 0.441176 0.845238
119 NAX 0.441176 0.903614
120 DT DA DC DG 0.440476 0.929412
121 OOB 0.44 0.841463
122 8QN 0.44 0.841463
123 SRP 0.439024 0.843373
124 DAL FAD PER 0.439024 0.840909
125 9SN 0.438462 0.793103
126 NDC 0.437909 0.857143
127 DC DG DT DA 0.43787 0.929412
128 DWN 0.4375 0.823529
129 ARG AMP 0.437037 0.797753
130 PAJ 0.436508 0.784091
131 U G A 0.435897 0.848837
132 TLO 0.435484 0.831325
133 T46 0.434109 0.821429
134 NB8 0.434109 0.813953
135 FYA 0.434109 0.864198
136 BIS 0.434109 0.761364
137 0N2 0.434109 0.835294
138 TRH 0.433071 0.821429
139 18T 0.433071 0.821429
140 AHX 0.433071 0.813953
141 1JB 0.433071 0.821429
142 00A 0.433071 0.802326
143 DLL 0.433071 0.841463
144 AFH 0.432836 0.784091
145 XAH 0.431818 0.806818
146 AOC 0.429825 0.743902
147 3UK 0.429688 0.831325
148 25A 0.428571 0.829268
149 NAD BBN 0.427673 0.788889
150 OMR 0.427536 0.797753
151 TBD 0.42735 0.8
152 NMN AMP PO4 0.426573 0.925
153 WAQ 0.426357 0.845238
154 LAD 0.426357 0.825581
155 4AD 0.425197 0.855422
156 AMO 0.425197 0.843373
157 PTJ 0.423077 0.793103
158 ME8 0.423077 0.806818
159 TXA 0.423077 0.821429
160 P6G FDA 0.422619 0.844444
161 NAD CJ3 0.42236 0.744681
162 4UU 0.422222 0.878049
163 A U C C 0.422078 0.879518
164 JHZ 0.421053 0.804598
165 AKM 0.421053 0.806818
166 NXX 0.42029 0.843373
167 4UW 0.42029 0.869048
168 DND 0.42029 0.843373
169 25L 0.419847 0.819277
170 MMF 0.419847 0.823529
171 FAD NBA 0.41954 0.840426
172 THM 0.419048 0.743902
173 LLT 0.419048 0.743902
174 4TG 0.41791 0.833333
175 4UV 0.41791 0.878049
176 N01 0.417808 0.8875
177 GTP MG 0.417323 0.772727
178 TYM 0.417266 0.865854
179 U A A U 0.417219 0.890244
180 NAD NDT 0.416667 0.68932
181 DT MA7 DT 0.415584 0.894118
182 NDE 0.415584 0.843373
183 ADJ 0.415493 0.860465
184 FA5 0.413534 0.865854
185 YAP 0.413534 0.855422
186 QDM 0.413534 0.793103
187 48N 0.413043 0.813953
188 52H 0.412698 0.715789
189 54H 0.412698 0.723404
190 VMS 0.412698 0.723404
191 CNA 0.412587 0.865854
192 JB6 0.412214 0.823529
193 PUA 0.412162 0.891566
194 7MD 0.411765 0.806818
195 1YF 0.410448 0.833333
196 FNF 0.410448 0.833333
197 DU DU DU DU BRU DA DU 0.410256 0.894118
198 53H 0.409449 0.715789
199 TSB 0.409449 0.731183
200 U A C C 0.408163 0.890244
201 A5A 0.408 0.73913
202 A A A 0.407692 0.8875
203 G5A 0.406504 0.734043
204 DC DG DA DC 0.40625 0.882353
205 LAQ 0.405797 0.786517
206 XYA 0.40566 0.719512
207 ADN 0.40566 0.719512
208 RAB 0.40566 0.719512
209 P5A 0.40458 0.739583
210 KAA 0.40458 0.729167
211 7MC 0.404255 0.808989
212 DT ME6 DT 0.404255 0.833333
213 BT5 0.40411 0.820225
214 DZD 0.40411 0.847059
215 A G U 0.402516 0.848837
216 MTA 0.401786 0.702381
217 DCP MG 0.401639 0.776471
218 GDP 7MG 0.40146 0.825581
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ORV; Ligand: 4TA; Similar sites found: 370
This union binding pocket(no: 1) in the query (biounit: 2orv.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GWT 066 0.00007688 0.44311 None
2 2WJG GDP 0.004664 0.43666 None
3 3KU0 ADE 0.0125 0.42555 None
4 4OWK NGA 0.01946 0.40947 None
5 1GXU 2HP 0.01429 0.40885 None
6 2VBQ BSJ 0.001445 0.40654 None
7 1T0I FMN 0.0001682 0.40408 None
8 4NAT ADP 0.01552 0.40267 None
9 1R6D DAU 0.000707 0.43472 0.854701
10 1R6D NAD 0.0007771 0.43417 0.854701
11 3FXU TSU 0.000777 0.4017 0.854701
12 1SB8 UD2 0.0004213 0.4425 1.28205
13 1SB8 NAD 0.0004431 0.43798 1.28205
14 1T26 GBD 0.003659 0.431 1.28205
15 1T26 NAI 0.003659 0.431 1.28205
16 1GSA ADP 0.001202 0.42319 1.28205
17 4LPS GDP 0.01053 0.41506 1.28205
18 3ICC NAP 0.001013 0.40889 1.28205
19 3P3N AKG 0.00403 0.43803 1.43266
20 2WA4 069 0.002152 0.42239 1.43266
21 4IAE 1DX 0.00274 0.41477 1.5873
22 1TLG GAL 0.007551 0.43815 1.6
23 4AG5 ADP 0.001083 0.48394 1.7094
24 2C5S AMP 0.001414 0.44001 1.7094
25 2J07 HDF 0.0004341 0.43926 1.7094
26 2J07 FAD 0.0004341 0.43926 1.7094
27 2Q1S NAI 0.001078 0.42091 1.7094
28 1UJ2 C5P 0.002112 0.41611 1.7094
29 1UJ2 ADP 0.003471 0.40743 1.7094
30 3D2Y AH0 ALA FGA LYS 0.0001993 0.40475 1.7094
31 2ZTS ADP 0.00901 0.40386 1.7094
32 4LO2 GAL BGC 0.01582 0.40548 2.04082
33 2DTX BMA 0.0001588 0.44416 2.13675
34 2DPY ADP 0.008318 0.43345 2.13675
35 1UF5 CDT 0.00184 0.43 2.13675
36 3FC2 IBI 0.0001997 0.42837 2.13675
37 1P1M MET 0.0002136 0.42686 2.13675
38 1ZK7 FAD 0.001021 0.4237 2.13675
39 4A8H PUW 0.0003785 0.42035 2.13675
40 1H82 GZZ 0.004186 0.41321 2.13675
41 4A8T PAO 0.007178 0.40559 2.13675
42 3JYN NDP 0.001819 0.40205 2.13675
43 4M5P FMN 0.0003847 0.40132 2.13675
44 2PEZ DAT 0.006953 0.40207 2.23464
45 1QY1 PRZ 0.0002165 0.40974 2.29885
46 1E7S NAP 0.00001831 0.46461 2.5641
47 3QV9 QV7 0.001346 0.45298 2.5641
48 4LC1 GDP 0.003498 0.44285 2.5641
49 1Q3Q ANP 0.000854 0.43525 2.5641
50 4CKU P2F 0.001348 0.42148 2.5641
51 1UXG FUM 0.0007415 0.42086 2.5641
52 1UXG NAD 0.0007415 0.42086 2.5641
53 1HDR NAD 0.002093 0.41585 2.5641
54 2RHW C0E 0.004196 0.41387 2.5641
55 4PVV HO4 0.001238 0.41352 2.5641
56 1YB5 NAP 0.000986 0.41191 2.5641
57 4AF0 IMP 0.002706 0.41115 2.5641
58 1A69 FMB 0.005054 0.411 2.5641
59 1V35 NAI 0.00208 0.40929 2.5641
60 3CKZ ZMR 0.002488 0.40669 2.5641
61 4B7J G39 0.001587 0.40396 2.5641
62 2AHR NAP 0.00007054 0.40385 2.5641
63 2ZB3 NDP 0.001207 0.40221 2.5641
64 4DEC UDP 0.001115 0.40021 2.5641
65 4DEC 3PG 0.001115 0.40021 2.5641
66 1FL2 FAD 0.0002657 0.43795 2.58065
67 3H86 AP5 0.0001017 0.46434 2.60417
68 1DR1 NAP 0.001572 0.40896 2.6455
69 1DR1 HBI 0.001572 0.40896 2.6455
70 3GJ0 GDP 0.003129 0.44525 2.71493
71 4F8L GAL 0.002929 0.48639 2.75862
72 1M7G ADP 0.001449 0.42585 2.8436
73 1M7G ADX 0.001871 0.42423 2.8436
74 2B82 ADN 0.0003854 0.40194 2.8436
75 1C1L GAL BGC 0.002842 0.45175 2.91971
76 2JAQ DCP 0.001634 0.40993 2.92683
77 1Q0H FOM 0.00263 0.40976 2.95567
78 1GOJ ADP 0.0004175 0.51144 2.99145
79 2WIC GNP 0.002159 0.44833 2.99145
80 3DGB MUC 0.000721 0.44083 2.99145
81 2E2R 2OH 0.0001352 0.43979 2.99145
82 2Z9V PXM 0.002177 0.43782 2.99145
83 4DEM YS4 0.001979 0.43567 2.99145
84 2NLI FMN 0.001089 0.43156 2.99145
85 1EP2 ORO 0.00028 0.42958 2.99145
86 3IU9 T07 0.001706 0.42549 2.99145
87 2R14 FMN 0.0001949 0.42372 2.99145
88 2RGH FAD 0.0009961 0.41888 2.99145
89 2V7T SAH 0.009651 0.41329 2.99145
90 3HAZ FAD 0.0006974 0.41266 2.99145
91 4CS4 AXZ 0.001901 0.41261 2.99145
92 1NUS NMN 0.002211 0.41137 2.99145
93 1GS5 ANP 0.0009448 0.4112 2.99145
94 1GS5 NLG 0.0009448 0.4112 2.99145
95 3KO8 NAD 0.0009023 0.41049 2.99145
96 1G0N NDP 0.001643 0.40947 2.99145
97 1H2B NAJ 0.001079 0.40934 2.99145
98 1EP2 FMN 0.0006432 0.40924 2.99145
99 3HAZ NAD 0.0009118 0.40752 2.99145
100 1H6C SIN 0.002592 0.40403 2.99145
101 4CS4 ANP 0.002232 0.40397 2.99145
102 3ZV6 NAD 0.003209 0.403 2.99145
103 3ZV6 4HB 0.003434 0.403 2.99145
104 1BDB NAD 0.01213 0.40233 2.99145
105 1RYD NDP 0.00262 0.40169 2.99145
106 3O03 NAP 0.001026 0.40133 2.99145
107 1H6C NDP 0.002858 0.40045 2.99145
108 1G8S MET 0.01049 0.41903 3.04348
109 1VQ2 DDN 0.003867 0.41513 3.10881
110 1V6A TRE 0.0003745 0.47744 3.31325
111 2QV7 ADP 0.0004476 0.43844 3.4188
112 4R33 SAH 0.0002459 0.42999 3.4188
113 4R33 TRP 0.0002459 0.42999 3.4188
114 2C31 ADP 0.002555 0.42685 3.4188
115 2C31 TZD 0.002658 0.42685 3.4188
116 1JCM 137 0.0002155 0.42573 3.4188
117 2Q2V NAD 0.0005245 0.41942 3.4188
118 2AE2 PTO 0.001103 0.41742 3.4188
119 2AE2 NAP 0.001103 0.41742 3.4188
120 1UDB NAD 0.002321 0.41602 3.4188
121 1UDB UFG 0.002321 0.41602 3.4188
122 1Z45 NAD 0.0005089 0.41553 3.4188
123 1TDF FAD 0.001904 0.41545 3.4188
124 3DER ALA LYS 0.0002874 0.40412 3.4188
125 1REO FAD 0.003199 0.401 3.4188
126 4HA6 FAD 0.004313 0.40063 3.4188
127 1EJE FMN 0.001373 0.41214 3.64583
128 3MPI GRA 0.002597 0.41598 3.77834
129 1Z44 NPO 0.001007 0.51237 3.84615
130 1F1V DHY 0.0004174 0.46186 3.84615
131 2F2U M77 0.0005386 0.45134 3.84615
132 1Y42 TYR 0.002002 0.43937 3.84615
133 2C7G FAD 0.0008295 0.43487 3.84615
134 1PEA ACM 0.009388 0.43367 3.84615
135 2ZE7 AMP 0.0007728 0.43197 3.84615
136 2ZE7 DST 0.000895 0.43113 3.84615
137 3A1S GDP 0.006223 0.42612 3.84615
138 2C7G ODP 0.001421 0.42589 3.84615
139 4KCF AKM 0.0001158 0.42366 3.84615
140 2YVF NAD 0.002295 0.42316 3.84615
141 3SHR CMP 0.003433 0.41915 3.84615
142 4RJK TDL 0.0004016 0.41878 3.84615
143 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.002064 0.41649 3.84615
144 4RJK TPP 0.0004258 0.41484 3.84615
145 1TOI HCI 0.0005285 0.41349 3.84615
146 2NX1 RP5 0.0005008 0.41264 3.84615
147 3HNA SAH 0.01265 0.40743 3.84615
148 2BLE 5GP 0.005958 0.40709 3.84615
149 3OIG IMJ 0.001281 0.40695 3.84615
150 2VJJ RAM GLC GAL NAG NAG GLC 0.004099 0.40626 3.84615
151 4C12 ADP 0.005367 0.40424 3.84615
152 2NX1 PEP 0.0009806 0.40352 3.84615
153 3SWC SAH 0.01318 0.40307 3.84615
154 2O2C G6Q 0.004529 0.40156 3.84615
155 3LPF Z77 0.001109 0.40028 3.84615
156 3OIG NAD 0.009422 0.40006 3.84615
157 2C1Q BTN 0.001474 0.41214 3.96825
158 4INB 1F6 0.00009685 0.41765 4.10959
159 1JUV NDP 0.0004935 0.4112 4.14508
160 3S9K CIT 0.04145 0.41776 4.23729
161 1ME8 RVP 0.0008819 0.44738 4.2735
162 4COQ SAN 0.003216 0.4425 4.2735
163 1TIW FAD 0.0002659 0.43552 4.2735
164 1TIW TFB 0.0002659 0.43552 4.2735
165 1SQ5 ADP 0.004477 0.43303 4.2735
166 4O8A FAD 0.0001817 0.43124 4.2735
167 3K37 BCZ 0.003222 0.42676 4.2735
168 1OTH PAO 0.0004294 0.42081 4.2735
169 4N02 FNR 0.001833 0.4204 4.2735
170 2BIF SIN 0.004977 0.41921 4.2735
171 2V6O FAD 0.004799 0.41813 4.2735
172 1JIL 485 0.00008257 0.41589 4.2735
173 4DQ2 BTX 0.0004604 0.41537 4.2735
174 3LZW NAP 0.003337 0.41525 4.2735
175 2TPL HPP 0.0005585 0.40784 4.2735
176 1XHL NDP 0.001123 0.40745 4.2735
177 3WBF API 0.001467 0.40505 4.2735
178 3LZW FAD 0.002553 0.40316 4.2735
179 1F8F NAD 0.006622 0.40259 4.2735
180 1I9G SAM 0.004795 0.40091 4.2735
181 3F81 STT 0.001817 0.4774 4.37158
182 4J0Q GDP 0.002586 0.45444 4.38799
183 3UC5 ATP 0.007525 0.40281 4.4586
184 1FW1 GSH 0.003843 0.40828 4.62963
185 2CBZ ATP 0.0002627 0.52144 4.70085
186 3MAG 3MA 0.004957 0.46374 4.70085
187 2P8B NSK 0.002312 0.4432 4.70085
188 3EAU PDN 0.001692 0.43701 4.70085
189 3EAU NDP 0.001692 0.43701 4.70085
190 4MP8 MLI 0.0004717 0.42611 4.70085
191 4MP8 NAD 0.0004717 0.42611 4.70085
192 2IMP NAI 0.003918 0.42364 4.70085
193 4W6Z 8ID 0.0006461 0.4204 4.70085
194 3UXL CFI 0.009972 0.41276 4.70085
195 1K97 ASP 0.008717 0.41194 4.70085
196 1K97 CIR 0.008717 0.41194 4.70085
197 2XK9 XK9 0.00125 0.40858 4.70085
198 3RO7 TDR 0.01646 0.40686 4.70085
199 2R5T ANP 0.001262 0.40568 4.70085
200 3I28 34N 0.003772 0.40534 4.70085
201 3T31 FAD 0.006215 0.40356 4.70085
202 1ZUI SKM 0.004384 0.41405 4.7619
203 2IYG FMN 0.0007586 0.43998 4.83871
204 1SJW NGV 0.00221 0.413 4.86111
205 2Q37 3AL 0.002806 0.43893 4.97238
206 4FWE FAD 0.0004213 0.43463 5.12821
207 2RDT 2RD 0.002079 0.42747 5.12821
208 3VPD ANP 0.0001773 0.41162 5.12821
209 3WD1 ST7 0.002196 0.41051 5.12821
210 2G86 UMP 0.004673 0.40389 5.12821
211 4Q0A 4OA 0.002998 0.40036 5.12821
212 3LXR GDP 0.01269 0.40737 5.20833
213 2PR5 FMN 0.000178 0.44297 5.30303
214 2RGX AP5 0.01268 0.40084 5.33981
215 1JI0 ATP 0.0002223 0.51532 5.55556
216 1D6H COA 0.0004186 0.43472 5.55556
217 1RHC F42 ACN 0.0004308 0.41782 5.55556
218 1I2B NAD 0.004329 0.40904 5.55556
219 1I2B UPG 0.004329 0.40904 5.55556
220 1I2B USQ 0.004329 0.40904 5.55556
221 1KOL NAD 0.001487 0.40858 5.55556
222 2IXB A2G 0.002048 0.40632 5.55556
223 2R40 EPH 0.001172 0.40479 5.55556
224 3L02 CP 0.001368 0.40471 5.55556
225 3L02 SN0 0.001368 0.40471 5.55556
226 2GJN FMN 0.0005363 0.40218 5.79268
227 1DAK ADP 0.0002706 0.43769 5.80357
228 2V5E SCR 0.02734 0.42389 5.94059
229 4IEE AGS 0.002233 0.45768 5.98291
230 2XVE FAD 0.003097 0.41855 5.98291
231 2G77 AF3 0.01917 0.41759 5.98291
232 1DXY NAD 0.009536 0.41443 5.98291
233 3NYQ AMP 0.0008285 0.41303 5.98291
234 4AT0 FAD 0.002802 0.41063 5.98291
235 1GV0 NAD 0.0009649 0.40675 5.98291
236 1EYE PMM 0.005568 0.40634 5.98291
237 2G77 GDP 0.009948 0.40525 5.98291
238 1QF5 RPL 0.004223 0.40454 5.98291
239 1MOQ GLP 0.0001738 0.40263 5.98291
240 3TMK T5A 0.0008649 0.43497 6.01852
241 1QO0 BMD 0.01451 0.41258 6.12245
242 2FR6 URI 0.0002717 0.4015 6.16438
243 2A5J GDP 0.007618 0.41787 6.28272
244 3BY8 MLT 0.002782 0.45219 6.33803
245 4KQI RBZ 0.0001033 0.43903 6.41026
246 4KQI NIO 0.0001033 0.43903 6.41026
247 3ZEI AWH 0.00009207 0.43733 6.41026
248 1G7S GDP 0.006938 0.42383 6.41026
249 1QW9 KHP 0.0002235 0.4201 6.41026
250 2YPO PHE 0.0009812 0.40652 6.41026
251 2AQJ FAD 0.006459 0.40585 6.41026
252 3D3W NAP 0.001439 0.40533 6.41026
253 4G1V FAD 0.0008196 0.40436 6.41026
254 1VDC FAD 0.004318 0.40421 6.41026
255 1OYB HBA 0.0009051 0.40302 6.41026
256 1SOW NAD 0.001751 0.40129 6.41026
257 3I8P 840 0.00478 0.4007 6.41026
258 2ALG HP6 0.0001778 0.41226 6.52174
259 2ALG DAO 0.0001778 0.41226 6.52174
260 3TA2 AKG 0.000604 0.41166 6.77966
261 1GR0 NAD 0.003951 0.4212 6.83761
262 2Q1W NAD 0.000485 0.41912 6.83761
263 1G6O ADP 0.008039 0.41676 6.83761
264 3ZS7 ATP 0.0001865 0.41482 6.83761
265 1ZFJ IMP 0.001647 0.41471 6.83761
266 1HV9 UD1 0.003001 0.40689 6.83761
267 4KS1 2H8 0.004425 0.40026 6.83761
268 3S7O LBV 0.0007594 0.41148 6.99708
269 1TUV VK3 0.03554 0.41101 7.01754
270 4V0K GDP 0.002318 0.42995 7.10059
271 3PQC GDP 0.009063 0.4143 7.17949
272 3ZPG 5GP 0.001064 0.48928 7.26496
273 1MDZ DCS 0.0003651 0.42448 7.26496
274 1OAA OAA 0.002233 0.41026 7.26496
275 1RKD RIB 0.0009507 0.40977 7.26496
276 1RKD ADP 0.0009507 0.40977 7.26496
277 1MDZ PLP 0.00159 0.40262 7.26496
278 3TKA SAM 0.0004061 0.40051 7.26496
279 1KDK DHT 0.0002077 0.41386 7.34463
280 4QOS ADP 0.0007212 0.46619 7.69231
281 1RZM E4P 0.002628 0.45336 7.69231
282 3FC4 EDO 0.001253 0.42697 7.69231
283 1Z6T ADP 0.005968 0.4153 7.69231
284 1CSI CMX 0.001734 0.40981 7.69231
285 1CSI OAA 0.001734 0.40981 7.69231
286 1WVG APR 0.0006778 0.40525 7.69231
287 1RZM PEP 0.01409 0.40319 7.69231
288 4IVG ANP 0.005266 0.40293 7.69231
289 1QF9 C5P 0.004445 0.41496 7.73196
290 1ZD9 GDP 0.008584 0.40479 7.97872
291 3E8N VRA 0.0005423 0.42987 8.11966
292 3E8N ATP 0.0005423 0.42987 8.11966
293 2P2V CSF 0.006126 0.40067 8.11966
294 1MXI SAH 0.0008985 0.41854 8.125
295 2QLX RM4 0.002341 0.45574 8.33333
296 3RFV NAI 0.0006426 0.40925 8.54701
297 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.002775 0.40409 8.54701
298 3A2Y TS5 0.001819 0.4119 8.62944
299 4DKX GDP 0.00292 0.44673 8.7963
300 3B9Q MLI 0.002027 0.4769 8.97436
301 3IAE D7K 0.0006439 0.41376 8.97436
302 1C0I FAD 0.003329 0.40629 8.97436
303 1C0I BE2 0.003329 0.40629 8.97436
304 4HI0 GDP 0.008182 0.40249 9.04523
305 1SS4 GSH 0.004382 0.48016 9.15033
306 1SS4 CIT 0.009225 0.47801 9.15033
307 1RYI FAD 0.0005053 0.43197 9.40171
308 3Q9T FAY 0.001632 0.40957 9.40171
309 4BMO FMN 0.0008663 0.40196 9.40171
310 1OE0 TTP 0.003941 0.40521 9.56522
311 4BQS ADP 0.004431 0.43777 9.65909
312 1S9D GDP 0.005601 0.42833 9.7561
313 1NN5 2DT 0.0002617 0.42466 9.76744
314 1NN5 ANP 0.004589 0.40822 9.76744
315 1D3V ABH 0.000676 0.40528 9.82906
316 1DBT U5P 0.002392 0.40376 9.82906
317 3NHB ADP 0.001306 0.47944 10.2564
318 4OYA 1VE 0.001168 0.45163 10.2564
319 4NM5 ADP 0.0004155 0.40302 10.2564
320 2E1A MSE 0.0009918 0.44636 10.6667
321 1N1G BCP 0.0007672 0.41672 10.6838
322 1A27 NAP 0.0006049 0.41316 10.6838
323 4BG1 IVL 0.0004125 0.40156 10.6838
324 4BG1 OGA 0.0004125 0.40156 10.6838
325 3OND ADN 0.00002706 0.47942 11.1111
326 3OND NAD 0.00002706 0.47942 11.1111
327 4CCO OGA 0.001846 0.44087 11.1111
328 1LNX URI 0.005073 0.42215 11.1111
329 2ZFI ADP 0.01026 0.41968 11.1111
330 1I7L ATP 0.0001982 0.41696 11.1111
331 3A1I UNU 0.005962 0.40955 11.1111
332 4QN7 G39 0.002279 0.40135 11.1111
333 3FPZ AHZ 0.007802 0.41266 11.5385
334 1UMP SQA 0.0006643 0.40552 11.5385
335 2BJK NAD 0.00516 0.40523 11.5385
336 2EWM NAD 0.001415 0.40288 11.5385
337 1NNU TCT 0.009537 0.4105 11.6667
338 1NNU NAD 0.0161 0.40208 11.6667
339 4F4S EFO 0.01306 0.40459 11.8421
340 1WDA BAG 0.001527 0.43863 11.9658
341 1Y9Q MED 0.0006556 0.47398 11.9792
342 1BGQ RDC 0.0004527 0.41236 12
343 3K3K A8S 0.0002355 0.40618 12.3223
344 4NON GDP 0.002711 0.44833 12.3932
345 1WDT GTP 0.009049 0.40377 12.3932
346 2QS8 MET 0.001399 0.4002 12.3932
347 2YB9 HA0 0.0003575 0.42038 12.8205
348 1DLJ NAI 0.005819 0.40143 12.8205
349 3GJ8 GDP 0.004223 0.43426 13.0435
350 1YRX FMN 0.002148 0.41346 13.2231
351 3U6B GDP 0.00193 0.46089 13.2479
352 3U6K GDP 0.004717 0.43642 13.2479
353 4GYW UDP 0.0006033 0.41609 13.2479
354 2BVN GNP 0.007308 0.41492 13.2479
355 3N5C GDP 0.002985 0.44626 13.5802
356 2NCD ADP 0.00234 0.4652 13.6752
357 1X54 4AD 0.0003098 0.41392 13.6752
358 4CVN ADP 0.001565 0.47125 13.8686
359 1O9U ADZ 0.003262 0.46439 14.9573
360 1FIQ FAD 0.0004894 0.42174 15.3846
361 3BER AMP 0.02358 0.40169 15.812
362 2XCG XCG 0.000351 0.42063 16.2393
363 2FYU FDN 0.002833 0.40121 16.6667
364 1YBH FAD 0.01296 0.40755 17.094
365 3RF4 FUN 0.001395 0.44605 17.2414
366 1T0S BML 0.003268 0.45623 19.6581
367 1M5B BN1 0.0006479 0.43945 20.5128
368 2XD9 XD9 0.02993 0.40809 23.3533
369 3NFZ 3NF 0.0006771 0.44189 23.9316
370 3KMT SAH 0.002654 0.41434 29.4118
Pocket No.: 2; Query (leader) PDB : 2ORV; Ligand: 4TA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2orv.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2ORV; Ligand: 4TA; Similar sites found: 15
This union binding pocket(no: 3) in the query (biounit: 2orv.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4U60 SIA 0.04102 0.40454 1.7094
2 2OFW ADX 0.003424 0.42198 1.92308
3 4R43 GDP 0.01366 0.41351 2.13675
4 2PEZ GGZ 0.006953 0.40207 2.23464
5 4CM4 4NR 0.0188 0.41352 2.99145
6 5BQ5 ADP BEF 0.002394 0.44162 3.1746
7 5H56 TYD 0.004562 0.40698 4.10256
8 5H56 ADP 0.004562 0.40698 4.10256
9 5VGR GDP 0.007823 0.40998 5.12821
10 5TAR GDP 0.009862 0.4089 7.43243
11 1QF9 ALF 0.004445 0.41496 7.73196
12 1QF9 ADP 0.004445 0.41496 7.73196
13 5FTB ANP 0.006818 0.42015 8.54701
14 5FHD ADP ALF 0.003639 0.41775 8.54701
15 4BQS K2Q 0.002994 0.42097 9.65909
Pocket No.: 4; Query (leader) PDB : 2ORV; Ligand: 4TA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2orv.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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