-->
Receptor
PDB id Resolution Class Description Source Keywords
1KIM 2.14 Å EC: 2.7.1.21 CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH DEOXYTHYMIDINE HERPES SIMPLEX VIRUS (TYPE 1 / STRAIN 17) TRANSFERASE PHOSPHOTRANSFERASE THYMIDINE KINASE VIRIDAE DS-DNA ENVELOPED VIRUSES HERPESVIRIDAE ALPHAHERPESVIRINAE
Ref.: EXPLORING THE ACTIVE SITE OF HERPES SIMPLEX VIRUS TYPE-1 THYMIDINE KINASE BY X-RAY CRYSTALLOGRAPHY OF COMPLEXES WITH ACICLOVIR AND OTHER LIGANDS. PROTEINS V. 32 350 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:3;
B:4;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
THM A:1;
B:2;
Valid;
Valid;
none;
none;
submit data
242.229 C10 H14 N2 O5 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1E2K 1.7 Å EC: 2.7.1.21 KINETICS AND CRYSTAL STRUCTURE OF THE WILD-TYPE AND THE ENGINEERED Y101F MUTANT OF HERPES SIMPLEX VIRUS TYPE 1 T HYMIDINE KINASE INTERACTING WITH (N ORTH)-METHANOCARBA-THYMIDINE HERPES SIMPLEX VIRUS (TYPE 1/ STRAIN 17) TRANSFERASE THYMIDINE KINASE ANTIVIRAL DRUG ENZYME-PRODRUG GENE THERAPY X-RAY STRUCTURE SUGAR RING PUCKER
Ref.: KINETICS AND CRYSTAL STRUCTURE OF THE WILD-TYPE AND THE ENGINEERED Y101F MUTANT OF HERPES SIMPLEX VIRUS TYPE 1 THYMIDINE KINASE INTERACTING WITH (NORTH)-METHANOCARBA-THYMIDINE BIOCHEMISTRY V. 39 9597 2000
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2KI5 - AC2 C8 H11 N5 O3 c1nc2c(n1C....
2 1KI7 - ID2 C9 H11 I N2 O5 C1[C@@H]([....
3 1KIM - THM C10 H14 N2 O5 CC1=CN(C(=....
4 1E2N Ki = 30.9 uM RCA C12 H16 N4 O5 CC1=C(NC(=....
5 1QHI - BPG C15 H17 N5 O2 c1ccc(cc1)....
6 1KI2 - GA2 C9 H13 N5 O4 c1nc2c(n1C....
7 1E2P Ki = 27 uM CCV C9 H14 N2 O4 CC1=C(NC(=....
8 1E2I - ARP C8 H11 N5 O C[C@H](Cn1....
9 1KI4 - BTD C13 H13 Br N2 O5 S c1cc(sc1C2....
10 1P7C - T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
11 1E2M - HPT C8 H12 N2 O3 CC1=C(NC(=....
12 1OF1 ic50 = 15 uM SCT C12 H16 N2 O4 CC1=CN(C(=....
13 1E2L Ki = 51.5 uM TMC C12 H16 N2 O4 CC1=CN(C(=....
14 1KI3 - PE2 C10 H15 N5 O3 c1nc2c(n1C....
15 1E2K Ki = 11.4 uM TMC C12 H16 N2 O4 CC1=CN(C(=....
16 1KI8 - BVD C11 H13 Br N2 O5 C1[C@@H]([....
17 1E2J - THM C10 H14 N2 O5 CC1=CN(C(=....
18 3F0T - NCV C10 H16 N2 O4 CC1=C(N(C(....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2KI5 - AC2 C8 H11 N5 O3 c1nc2c(n1C....
2 1KI7 - ID2 C9 H11 I N2 O5 C1[C@@H]([....
3 1KIM - THM C10 H14 N2 O5 CC1=CN(C(=....
4 1E2N Ki = 30.9 uM RCA C12 H16 N4 O5 CC1=C(NC(=....
5 1QHI - BPG C15 H17 N5 O2 c1ccc(cc1)....
6 1KI2 - GA2 C9 H13 N5 O4 c1nc2c(n1C....
7 1E2P Ki = 27 uM CCV C9 H14 N2 O4 CC1=C(NC(=....
8 1E2I - ARP C8 H11 N5 O C[C@H](Cn1....
9 1KI4 - BTD C13 H13 Br N2 O5 S c1cc(sc1C2....
10 1P7C - T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
11 1E2M - HPT C8 H12 N2 O3 CC1=C(NC(=....
12 1OF1 ic50 = 15 uM SCT C12 H16 N2 O4 CC1=CN(C(=....
13 1E2L Ki = 51.5 uM TMC C12 H16 N2 O4 CC1=CN(C(=....
14 1KI3 - PE2 C10 H15 N5 O3 c1nc2c(n1C....
15 1E2K Ki = 11.4 uM TMC C12 H16 N2 O4 CC1=CN(C(=....
16 1KI8 - BVD C11 H13 Br N2 O5 C1[C@@H]([....
17 1E2J - THM C10 H14 N2 O5 CC1=CN(C(=....
18 3F0T - NCV C10 H16 N2 O4 CC1=C(N(C(....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2KI5 - AC2 C8 H11 N5 O3 c1nc2c(n1C....
2 1KI7 - ID2 C9 H11 I N2 O5 C1[C@@H]([....
3 1KIM - THM C10 H14 N2 O5 CC1=CN(C(=....
4 1E2N Ki = 30.9 uM RCA C12 H16 N4 O5 CC1=C(NC(=....
5 1QHI - BPG C15 H17 N5 O2 c1ccc(cc1)....
6 1KI2 - GA2 C9 H13 N5 O4 c1nc2c(n1C....
7 1E2P Ki = 27 uM CCV C9 H14 N2 O4 CC1=C(NC(=....
8 1E2I - ARP C8 H11 N5 O C[C@H](Cn1....
9 1KI4 - BTD C13 H13 Br N2 O5 S c1cc(sc1C2....
10 1P7C - T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
11 1E2M - HPT C8 H12 N2 O3 CC1=C(NC(=....
12 1OF1 ic50 = 15 uM SCT C12 H16 N2 O4 CC1=CN(C(=....
13 1E2L Ki = 51.5 uM TMC C12 H16 N2 O4 CC1=CN(C(=....
14 1KI3 - PE2 C10 H15 N5 O3 c1nc2c(n1C....
15 1E2K Ki = 11.4 uM TMC C12 H16 N2 O4 CC1=CN(C(=....
16 1KI8 - BVD C11 H13 Br N2 O5 C1[C@@H]([....
17 1E2J - THM C10 H14 N2 O5 CC1=CN(C(=....
18 3F0T - NCV C10 H16 N2 O4 CC1=C(N(C(....
19 1P6X - THM C10 H14 N2 O5 CC1=CN(C(=....
20 1P72 - THM C10 H14 N2 O5 CC1=CN(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: THM; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 THM 1 1
2 LLT 1 1
3 0DN 0.777778 0.923077
4 TXS 0.704918 0.869565
5 TMP 0.693548 0.859155
6 T3S 0.68254 0.869565
7 TYD 0.641791 0.873239
8 ID2 0.637931 0.910448
9 T3P 0.629032 0.84507
10 TBD 0.623188 0.837838
11 AZZ 0.609375 0.857143
12 TTP 0.605634 0.873239
13 BVD 0.587302 0.953846
14 BTD 0.550725 0.873239
15 3DT 0.540984 0.953846
16 NYM 0.536232 0.835616
17 FDM 0.536232 0.8
18 THP 0.528571 0.84507
19 WMJ 0.525 0.78481
20 DAU 0.52381 0.863014
21 TLO 0.518519 0.849315
22 DT DT DT 0.518519 0.847222
23 ATM 0.513514 0.779221
24 DUR 0.508197 0.952381
25 0TT 0.506494 0.926471
26 3YN 0.5 0.837838
27 1JB 0.494118 0.837838
28 TDX 0.494118 0.849315
29 3R2 0.494118 0.826667
30 TRH 0.494118 0.837838
31 18T 0.494118 0.837838
32 MCY 0.492308 0.925373
33 74W 0.488636 0.775
34 74X 0.488636 0.775
35 DT DT DT DT DT 0.488372 0.824324
36 ATY 0.487179 0.824324
37 DWN 0.482759 0.815789
38 T3Q 0.482759 0.815789
39 T3F 0.482759 0.815789
40 5HU 0.478873 0.873239
41 DT DT PST 0.477273 0.802632
42 T46 0.477273 0.837838
43 0N2 0.477273 0.805195
44 AZD 0.475 0.792208
45 MMF 0.47191 0.815789
46 0FX 0.47191 0.815789
47 UFP 0.464789 0.786667
48 2DT 0.463768 0.833333
49 QDM 0.461538 0.805195
50 BRU 0.458333 0.786667
51 FNF 0.456522 0.826667
52 AKM 0.456522 0.775
53 1YF 0.456522 0.826667
54 JHZ 0.456522 0.794872
55 5IU 0.452055 0.786667
56 4TG 0.451613 0.826667
57 BVP 0.435897 0.821918
58 T5A 0.431373 0.756098
59 TMC 0.426471 0.882353
60 ABT 0.425287 0.772152
61 DCZ 0.424242 0.880597
62 LDC 0.424242 0.880597
63 QUH 0.42 0.815789
64 FUH 0.42 0.815789
65 4TA 0.419048 0.743902
66 D3T 0.417722 0.847222
67 DT ME6 DT 0.415842 0.802632
68 5MD 0.411765 0.953125
69 DPB 0.407407 0.783784
70 TPE 0.406593 0.802632
71 5BT 0.405797 0.84507
72 B86 0.405797 0.84507
73 ADS THS THS THS 0.40367 0.738095
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1E2K; Ligand: TMC; Similar sites found with APoc: 659
This union binding pocket(no: 1) in the query (biounit: 1e2k.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 5O74 GDP None
2 1Z0A GDP None
3 1ZJ6 G3D None
4 1KAO GDP None
5 1M7B GTP None
6 3NKV GNP None
7 1EK0 GNP None
8 1Z08 GNP None
9 1ZUI SKM None
10 3LRE ADP 0.906344
11 5W76 GDP 1.20846
12 2FNA ADP 1.20846
13 4DKX GDP 1.38889
14 4R98 GNH 1.47601
15 2O66 FLC 1.48148
16 4QOS ADP 1.50943
17 5W7Q GDP 1.51057
18 2WHX ADP 1.51057
19 3FKQ ATP 1.51057
20 3ZFD ANP 1.51057
21 3QKT ANP 1.51057
22 5LEF GTP 1.57068
23 1UJ2 C5P 1.5873
24 1UJ2 ADP 1.5873
25 1KMQ GNP 1.63043
26 2Y8E GNP 1.67598
27 2FFQ GSP 1.75439
28 1YZQ GNP 1.76471
29 5M04 GDP 1.81269
30 4D0N GDP 1.81269
31 6FAA ADP 1.81269
32 4PJ3 ANP 1.81269
33 2WKQ GTP 1.81269
34 3HU3 AGS 1.81269
35 1ZCB GDP 1.81269
36 3SXN COA 1.81269
37 5Y79 3PG 1.82371
38 1ZIN AP5 1.84332
39 1D5C GDP 1.85185
40 2VWT PYR 1.87266
41 4BAS GNP 2.01005
42 3DKP ADP 2.04082
43 3TKL GTP 2.04082
44 2RCN GDP 2.1148
45 3P4X ADP 2.1148
46 6B4K ANP 2.1148
47 3RC3 ANP 2.1148
48 2J5V PCA 2.1148
49 3BJC WAN 2.1148
50 4NCN GTP 2.1148
51 4ZKD GDP 2.1148
52 1NST A3P 2.15385
53 3RWO GDP 2.16216
54 4ZNL BEF ADP 2.18978
55 3SFV GDP 2.20994
56 3R7F CP 2.30263
57 3SHZ 5CO 2.30548
58 5L3V GDP 2.34114
59 2OG2 MLI 2.41692
60 4PPF FLC 2.41692
61 1GOJ ADP 2.41692
62 1MKY GDP 2.41692
63 4B47 GDP 2.41692
64 3U6B GDP 2.41692
65 1D8T GDP 2.41692
66 4G5G GDP 2.41692
67 3U6K GDP 2.41692
68 5JBQ GDP 2.41692
69 2ZR9 DTP 2.41692
70 5MZN ADP 2.41692
71 2BVN GNP 2.41692
72 2ZPA ADP 2.41692
73 4H1V GNP 2.41692
74 2C9O ADP 2.41692
75 2C77 GNP 2.41692
76 2C78 GNP 2.41692
77 5Z69 AGS 2.41692
78 5OLK DTP 2.41692
79 6HL8 GUA 2.41692
80 4ZG4 VO4 ADP 2.41692
81 1G6O ADP 2.42424
82 5LX9 OLB 2.46479
83 2QG6 NMN 2.51256
84 2PL3 ADP 2.54237
85 1MZV AMP 2.55319
86 2X7I CIT 2.5974
87 4TMZ GSP 2.6087
88 3B9Q MLI 2.64901
89 1WF3 GNP 2.65781
90 5G41 AP5 2.69058
91 2VVG ADP 2.71903
92 2DPY ADP 2.71903
93 5YT0 GDP 2.71903
94 5FG3 GDP 2.71903
95 2NCD ADP 2.71903
96 4R43 GDP 2.71903
97 4HSE ADP 2.71903
98 4KVA GTP 2.71903
99 2XAU ADP 2.71903
100 4KBF AMP 2.71903
101 2BKL ZAH 2.71903
102 4A4Z ANP 2.71903
103 1IHU AF3 2.71903
104 1IHU ADP 2.71903
105 4YS0 ADP 2.71903
106 2I4I AMP 2.71903
107 1IZO PAM 2.71903
108 1SVM ATP 2.71903
109 2Q8M AMP 2.71903
110 1F5N GNP 2.71903
111 6DEF GCP 2.71903
112 1Y3A GDP 2.73556
113 3E70 GDP 2.7439
114 1S7N COA 2.74725
115 4MKG AP5 2.76498
116 1S3G AP5 2.76498
117 2OM2 GDP 2.76923
118 3FB4 AP5 2.77778
119 2W3L DRO 2.77778
120 5LV1 78T 2.85714
121 2GJ8 ALF GDP 2.90698
122 3W5J GDP 2.94118
123 4Z7X 3CX 2.94118
124 3BFV ADP 2.95203
125 1RYH GNP 2.95567
126 6CS8 F9Y 2.9703
127 5L3R GCP 2.99003
128 1OIJ AKG 2.99003
129 4HDO GNP 2.99401
130 3X1Z GNP 2.99401
131 4HDQ GNP 2.99401
132 2OZE AGS 3.02013
133 1SKQ GDP 3.02115
134 2CE7 ADP 3.02115
135 5HR5 ADP 3.02115
136 4LJ9 ACP 3.02115
137 4P4T GDP 3.02115
138 5KSZ GCP 3.02115
139 5E70 RCD 3.02115
140 1OS1 ATP 3.02115
141 3B7G ANP 3.04348
142 4AFH L0B 3.04348
143 5HCN GCP 3.06513
144 3IUY AMP 3.07018
145 4PX9 ADP 3.08219
146 2ZE7 AMP 3.16206
147 5CK5 GDP 3.16456
148 5KUT GDP 3.1746
149 5G1N PAL 3.18471
150 3SBD GNP 3.20856
151 4FCW ADP 3.21543
152 1MH1 GNP 3.22581
153 3NHB ADP 3.26797
154 6AIC AMP 3.27103
155 4LPS GDP 3.30579
156 3BOS CDP 3.30579
157 1W0J ADP 3.30882
158 1W0J ADP BEF 3.30882
159 1FZQ GDP 3.31492
160 3EC1 GDP 3.32326
161 5ZXD ATP 3.32326
162 3WY9 GDP 3.32326
163 3WYA GDP 3.32326
164 2GK6 ADP 3.32326
165 4LYA ATP 3.32326
166 1G41 ADP 3.32326
167 1TQ4 GDP 3.32326
168 6C90 ADP 3.32326
169 1NY5 ADP 3.32326
170 1K6M AGS 3.32326
171 5VGR GDP 3.32326
172 4RD0 GDP 3.32326
173 2JLR ANP 3.32326
174 1QHG ATP 3.32326
175 5VHC BEF ADP 3.32326
176 5J8Q ALA 3.32326
177 5CAD PCA 3.32326
178 1F2U ATP 3.3557
179 2FJU GSP 3.37079
180 1X1R GDP 3.37079
181 3E5H GNP 3.37079
182 3DEF GDP 3.43511
183 1G8S MET 3.47826
184 4V03 ADP 3.50195
185 4B5W PYR 3.51562
186 1G16 GDP 3.52941
187 1Z0J GTP 3.52941
188 1F6B GDP 3.53535
189 1YVD GNP 3.5503
190 1Z2A GDP 3.57143
191 3FIU POP 3.61446
192 2AWN ADP 3.62538
193 3MD0 GDP 3.62538
194 3DC4 ADP 3.62538
195 1KK1 GNP 3.62538
196 1XKV ATP 3.62538
197 4IEE AGS 3.62538
198 5IRN ADP 3.62538
199 2D7D ADP 3.62538
200 1FNN ADP 3.62538
201 3ITJ CIT 3.62538
202 5Y6N ADP 3.62538
203 1OYY AGS 3.62538
204 4IOK XPO 3.62538
205 3T34 GDP 3.62538
206 3H86 AP5 3.64583
207 5KSP GDP 3.68421
208 1BG2 ADP 3.69231
209 1CR1 TTP 3.71622
210 1U0J ADP 3.74532
211 4YMU ATP 3.75
212 5IFS ADP 3.79747
213 2QZ4 ADP 3.81679
214 2XTN GTP 3.84615
215 3Q9L ATP 3.84615
216 4E03 ADP 3.8835
217 2RGX AP5 3.8835
218 1PUJ GNP 3.90071
219 1YQT ADP 3.92749
220 5TSH ADP 3.92749
221 4FRZ ADP 3.92749
222 5TSH ANP 3.92749
223 1OXV ANP 3.92749
224 1IN4 ADP 3.92749
225 1W5T ADP 3.92749
226 1W5T ANP 3.92749
227 4UDK BMA 3.92749
228 1YBH P22 3.92749
229 5U97 PIT 3.92749
230 2XTZ GSP 3.92749
231 3TK1 GDP 3.93939
232 6BCA GSP 3.97351
233 5XC5 GTP 3.97727
234 5G3Y ADP 3.9823
235 2HF9 GSP 3.9823
236 1RRC ADP 3.98671
237 1NJF ADP 4
238 1NJF AGS 4
239 3BER AMP 4.01606
240 2F9L GDP 4.0201
241 2IXE ATP 4.05904
242 1TU3 GNP 4.09357
243 4U00 ADP 4.09836
244 1R2Q GNP 4.11765
245 4KAX GTP 4.14201
246 4MKF AP5 4.14747
247 4GOJ GNP 4.16667
248 3MJH GTP 4.16667
249 1CM0 COA 4.16667
250 1NN5 2DT 4.18605
251 1NN5 ANP 4.18605
252 3Q72 GNP 4.21687
253 5UWO GNP 4.21941
254 6CIT GNP 4.21941
255 5UWU GNP 4.21941
256 5DIF GNP 4.21941
257 5UWW GNP 4.21941
258 5UWQ GNP 4.21941
259 5UWI GNP 4.21941
260 5DHF GNP 4.21941
261 5UWR GNP 4.21941
262 5UWJ GNP 4.21941
263 5UWT GNP 4.21941
264 5UWP GNP 4.21941
265 5DI9 GNP 4.21941
266 5YV5 ADP 4.22961
267 4J0Q GDP 4.22961
268 5GOE GDP 4.22961
269 5LB3 ADP 4.22961
270 1V8K ANP 4.22961
271 1Z6T ADP 4.22961
272 2FAH GDP 4.22961
273 5KDO GDP 4.22961
274 1GOT GDP 4.22961
275 2GMV PEP 4.22961
276 1GP2 GDP 4.22961
277 6CRK GDP 4.22961
278 3H55 GLA 4.22961
279 2GMV UN8 4.22961
280 2BMB PMM 4.22961
281 1JJ7 ADP 4.23077
282 3BY9 SIN 4.23077
283 5BQ5 ADP BEF 4.2328
284 2W83 GTP 4.24242
285 1ZD9 GDP 4.25532
286 2BEK ATP 4.28016
287 3N5C GDP 4.32099
288 3GXO MQA 4.33604
289 2PZE ATP 4.36681
290 2D2F ADP 4.4
291 3FWY ADP 4.4586
292 2EFE GNH 4.49438
293 3UIE ANP 4.5
294 3GJ0 GDP 4.52489
295 3GJ4 GDP 4.52489
296 3GJ3 GDP 4.52489
297 3GJ8 GDP 4.52489
298 3GJ5 GDP 4.52489
299 1T5C ADP 4.53172
300 2OBM ADP 4.53172
301 5WC2 ADP 4.53172
302 5BN3 ADP 4.53172
303 1G7S GDP 4.53172
304 2A9K GDP 4.53172
305 5M7P ADP 4.53172
306 4OHY ANP 4.53172
307 2BIF ANP 4.53172
308 5I0H ADP BEF 4.53172
309 2BIF SIN 4.53172
310 3NV6 CAM 4.53172
311 1R0X ATP 4.54545
312 1AKY AP5 4.54545
313 1KO8 6PG 4.57143
314 1VHT BA3 4.58716
315 4NON GDP 4.61538
316 5BXQ GDP 4.62963
317 3CH5 GDP 4.62963
318 3TMK T5A 4.62963
319 1IBR GNP 4.62963
320 2CBZ ATP 4.64135
321 1OW4 2AN 4.65116
322 1M2O GNP 4.73684
323 4RZ3 ADP 4.74576
324 2X77 GDP 4.7619
325 1Z06 GNP 4.7619
326 4UNR QZE 4.7619
327 2ZTS ADP 4.78088
328 4XOI GTP 4.81482
329 4YDS ATP 4.82456
330 4JLV ADP 4.83271
331 5LTJ ADP 4.83384
332 5LTJ BEF 4.83384
333 3V2U ATP 4.83384
334 3VX3 ADP 4.83871
335 1FP6 ADP 4.84429
336 1YZN GNP 4.86486
337 2CHG ANP 4.86726
338 1E96 GTP 4.92611
339 4P3Y GDP 4.94506
340 5EXT ADP 5
341 1TIQ COA 5
342 3WYF GTP 5.02283
343 2G77 GDP 5.05051
344 1G6H ADP 5.05837
345 3BC1 GNP 5.08475
346 1L2T ATP 5.10638
347 5FTB ANP 5.13595
348 5JCP GDP ALF 5.13595
349 5FHD ADP ALF 5.13595
350 3RLF ANP 5.13595
351 1HE1 GDP 5.18518
352 4KFU ACP 5.18868
353 1SQ5 ADP 5.19481
354 5IRR GSP 5.19481
355 4YLG GDP 5.20231
356 3KTA AP5 5.20231
357 5L3W GDP 5.22876
358 1UPT GTP 5.26316
359 3EWA ANP 5.2795
360 2IMG MLT 5.29801
361 1JJV ATP 5.33981
362 1YRB GDP 5.34351
363 4K7O EKZ 5.35714
364 2JAQ DCP 5.36585
365 5L3S GNP 5.40541
366 2IS6 ADP 5.43807
367 5H7J GCP 5.43807
368 5H7K GDP 5.43807
369 2O0J ADP 5.43807
370 3VMF GTP 5.43807
371 2GCO GNP 5.47264
372 2GCN GDP 5.47264
373 4WZ6 ATP 5.51724
374 1SVI GDP 5.64103
375 3PQC GDP 5.64103
376 6HKE LMR 5.66038
377 6HKE MLT 5.66038
378 1M7G AV2 5.6872
379 1M7G ADP 5.6872
380 1M7G ADX 5.6872
381 4QRH 0O2 5.71429
382 3ALT MLB 5.73248
383 6A20 ADP 5.74018
384 1DAR GDP 5.74018
385 1G4U GDP 5.74018
386 1WDT GTP 5.74018
387 5ZBR ANP 5.74018
388 3DZD ADP 5.74018
389 3PCR GTP 5.74018
390 4ZCW 4NG 5.74018
391 1OFH ADP 5.74713
392 1YNS HPO 5.74713
393 1VG8 GNP 5.7971
394 3A1S GDP 5.81395
395 5UQW GDP 5.82011
396 5OCG GNP 5.82011
397 1U3G ADP 5.82011
398 1GWN GTP 5.85366
399 1G3Q ADP 5.90717
400 3RAB GNP 5.91716
401 3AQ4 GDP 5.97826
402 6BC0 GSP 6
403 5XKT GNP 6
404 6B8B ADP 6.0241
405 2GKS ADP 6.0423
406 4IHQ ADP 6.0423
407 2QEN ADP 6.0423
408 3GJX GTP 6.0423
409 1R4A GNP 6.06061
410 5BVB DOG 6.06061
411 2FH5 GTP 6.07477
412 5LLB 6YZ 6.08365
413 1B0U ATP 6.10687
414 3UXM 0DN 6.16114
415 4M9Q GNP 6.1674
416 5MVR ADP 6.17284
417 3B5J 12D 6.17284
418 1QF9 ALF 6.18557
419 1QF9 C5P 6.18557
420 1QF9 ADP 6.18557
421 3R3V FAH 6.20915
422 1I4D GDP 6.25
423 2IYL GDP 6.34441
424 1XP8 AGS 6.34441
425 4YJ1 ADP 6.34441
426 3TII ANP 6.34441
427 6FA4 GNP 6.35838
428 2C5L GTP 6.35838
429 2V54 TYD 6.37255
430 2B8W ALF 5GP 6.40244
431 1B7T ADP 6.41026
432 4K81 GTP 6.43275
433 2GDJ ANP 6.43939
434 2BME GNP 6.45161
435 1VG1 GDP 6.48649
436 3Q85 GNP 6.50888
437 5O2T GSP 6.50888
438 2ZEJ GDP 6.52174
439 5E95 GDP 6.54762
440 4CVN ADP 6.56934
441 6D55 GNP 6.58683
442 6BVM GNP 6.58683
443 6D5V GNP 6.58683
444 6BVJ GNP 6.58683
445 6D59 GNP 6.58683
446 6D5L GNP 6.58683
447 6D56 GNP 6.58683
448 6BVL GNP 6.58683
449 6D5E GNP 6.58683
450 6D5M GNP 6.58683
451 6BVK GNP 6.58683
452 6D5J GNP 6.58683
453 6BVI GNP 6.58683
454 6D5H GNP 6.58683
455 6D5G GNP 6.58683
456 1KY3 GDP 6.59341
457 3WYG GTP 6.59341
458 3KUD GDP 6.62651
459 1WQ1 GDP 6.62651
460 2J59 GTP 6.62651
461 1O3Y GTP 6.62651
462 2UZI GTP 6.62651
463 1NVV GNP 6.62651
464 3DDC GNP 6.62651
465 5WDR GNP 6.64653
466 1J2J GTP 6.66667
467 4R2I ANP 6.66667
468 5J1J ANP 6.66667
469 6EDV COA 6.70103
470 1S9D GDP 6.70732
471 1OW3 GDP 6.73575
472 2P7Q GG6 6.76692
473 6G14 G4P 6.80272
474 5Z2M GTP 6.81818
475 4D0G GTP 6.85714
476 5HPY GDP 6.89655
477 4NU0 AP5 6.91244
478 5H67 ATP 6.91489
479 2XT3 ADP 6.94864
480 1F9V ADP 6.94864
481 3CPJ GDP 6.94864
482 2BCG GDP 6.94864
483 1R6B ADP 6.94864
484 2FSH ANP 6.94864
485 1YTM ATP 6.94864
486 2ZJ5 ADP 6.94864
487 3WXM GTP 6.94864
488 2CDN ADP 6.96517
489 5N69 ADP 7.03518
490 2J0V GDP 7.07547
491 5OEC GDP 7.10383
492 4KVG GTP 7.14286
493 1KK8 BEF ADP 7.19424
494 1D2E GDP 7.25076
495 3TBK ANP 7.25076
496 1WA5 GTP 7.25076
497 1X6V ADP 7.25076
498 1OIX GDP 7.32984
499 1G7C 5GP 7.44681
500 2EW1 GNP 7.46269
501 3KJI ADP 7.48031
502 5EE5 GTP 7.51174
503 6BCB GSP 7.53425
504 1VG9 GDP 7.55287
505 1VG0 GDP 7.55287
506 5ZB0 TYD 7.57576
507 5ZB0 ADP 7.57576
508 1Y63 ADP 7.6087
509 3CNL GNP 7.63359
510 1GXU 2HP 7.69231
511 1NRJ GTP 7.79817
512 6BSX GDP 7.86517
513 1JI0 ATP 7.91667
514 1W7J ADP BEF 7.94702
515 4LHW GNP 8.04598
516 3QBT GNP 8.04598
517 3TNF GNP 8.04598
518 3A4M ADP 8.07692
519 2HV8 GTP 8.13953
520 1H65 GDP 8.14815
521 5W75 GDP 8.1571
522 1OIV GDP 8.1571
523 3IO3 ADP 8.1571
524 5K04 COA 8.1571
525 5X40 ACP 8.21918
526 1QHH ATP 8.28402
527 1DS6 GDP 8.33333
528 1BO4 COA 8.33333
529 2D7C GTP 8.38323
530 4X8O AP5 8.41121
531 3KC1 2T6 8.45921
532 3AB3 GDP 8.53659
533 1UAD GNP 8.57143
534 1ZC3 GNP 8.57143
535 5K5Z ANP 8.59873
536 2QN6 GDP 8.60215
537 2W2X GSP 8.64865
538 4AG5 ADP 8.76133
539 5XDR ADP 8.76133
540 3EZ2 ADP 8.76133
541 5WLB GNP 8.82353
542 1U8Z GDP 8.92857
543 1Z0F GDP 8.93855
544 2F5X ASP 8.97436
545 3SHR CMP 9.0301
546 2YOH WMJ 9.04762
547 2ZFI ADP 9.06344
548 4O4Z N2O 9.09091
549 5SZH GNP 9.15033
550 3LXR GDP 9.18919
551 3T5G GDP 9.21053
552 1KSH GDP 9.21053
553 3REF GDP 9.27835
554 5TB5 GDP 9.33333
555 2B4B COA 9.35672
556 2B4D COA 9.35672
557 2WIC GNP 9.3633
558 3FVQ ATP 9.36556
559 2VB6 ADP BEF 9.39597
560 4XGU ADP 9.43396
561 4HI0 GDP 9.44882
562 5TAR GDP 9.45946
563 4BQS ADP 9.65909
564 4BQS K2Q 9.65909
565 3MBI HSX 9.7561
566 4ZI2 GNP 9.77444
567 2A5F GTP 9.84456
568 4TMK T5A 9.85915
569 2W58 ADP 9.90099
570 4PC3 GDP 9.92908
571 5IRC GDP 9.95025
572 2V7Q ADP 10
573 2V7Q ATP 10
574 1OE0 TTP 10
575 2CK3 ANP 10
576 2CK3 ADP 10
577 1YZG GDP 10.0559
578 5UIV ADP 10.1322
579 5UIV TMP 10.1322
580 1GUA GNP 10.1796
581 2A5J GDP 10.4712
582 3M1I GTP 10.4712
583 2KIN ADP 10.5042
584 4GOX A3P 10.5431
585 3IIJ ADP 10.5556
586 4XTR ADP 10.574
587 4XTR ATP 10.574
588 4XVU ATP 10.574
589 3ZS9 ADP ALF 10.574
590 2WOJ ADP ALF 10.574
591 1ION ADP 10.6996
592 1Z83 AP5 10.7143
593 5GVR LMR 11.1111
594 3ZIA ADP 11.1111
595 3ZIA ATP 11.1111
596 4Q1A UDP 11.4286
597 4Q1A 2XZ 11.4286
598 2OFW ADX 11.5385
599 2WJG GDP 11.7021
600 4ZDJ UTP 11.7825
601 1KNM LAT 12.3077
602 4XSH GSP 12.3288
603 3COB ADP 12.3867
604 4V0K GDP 12.426
605 2CJW GDP 12.5
606 2QTV GNP 12.5749
607 1LVG ADP 12.6263
608 3T1O GDP 12.6263
609 1HTW ADP 12.6582
610 1CXZ GSP 12.7907
611 1Z0K GTP 13.0435
612 3T12 GDP ALF 13.2353
613 2PEZ DAT 13.4078
614 2PEZ GGZ 13.4078
615 6GBV FMN 13.6986
616 2HT6 GDP 13.7931
617 2WJH GDP 13.8554
618 2WJH FLC 13.8554
619 4DCT GDP 13.8973
620 4TTQ ATP 13.9535
621 3QF7 ANP 14
622 1NF3 GNP 14.359
623 4DID GDP 14.5078
624 2IL4 COA 14.5631
625 2NGR GDP 14.6597
626 1A4R GNH 14.6597
627 1A4R GDP 14.6597
628 4ITR GDP 14.6597
629 1GRN GDP 14.6597
630 2WMO GTP 14.7368
631 4LC1 GDP 14.8036
632 4HAT GNP 15
633 5JCZ GDP 15.0838
634 5UPK GNP 15.1351
635 1S8F GDP 15.2542
636 4LX0 BEF GDP 15.2542
637 3GJ7 GDP 15.3061
638 4YC7 GNP 15.4696
639 4C4P GNP 15.6069
640 5U32 GDP 15.678
641 4U5X GNP 15.7303
642 1FQJ GDP 16.3265
643 1FQK GDP 16.3265
644 3DOE GTP 16.3636
645 4D81 ADP 16.9611
646 5DI3 GNP 17.2973
647 1TX4 ALF GDP 17.6768
648 1MR3 G3D 18.232
649 2HCJ GDP 18.9189
650 1RE0 GDP 19.0045
651 3H4S ADP 19.2593
652 1XMV ADP 19.6375
653 1UKZ ADP 19.7044
654 4QM7 GTP 21.0526
655 1LFD GNP 21.8391
656 5XXS COA 24.2424
657 5UWH GNP 27.2727
658 5UWS GNP 27.2727
659 2Y65 ADP 30
Pocket No.: 2; Query (leader) PDB : 1E2K; Ligand: TMC; Similar sites found with APoc: 13
This union binding pocket(no: 2) in the query (biounit: 1e2k.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2CI5 HCS 1.76056
2 3O01 DXC 2.27273
3 5AM1 I5T 2.41692
4 1WEI ADE 2.66667
5 5A4W QCT 3.30189
6 4F4S EFO 3.94737
7 2AOU CQA 4.10959
8 5CHR 4NC 5.83942
9 3RET SAL 5.94059
10 3RET PYR 5.94059
11 1PVN MZP 6.91489
12 5TVM PUT 7.05882
13 3KP6 SAL 8.60927
APoc FAQ
Feedback