Receptor
PDB id Resolution Class Description Source Keywords
1TMK 2.1 Å EC: 2.7.4.9 YEAST THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (DTMP) SACCHAROMYCES CEREVISIAE TRANSFERASE (PHOSPHOTRANSFERASE) KINASE THYMIDINE ACTIVATION PATHWAY ENZYME
Ref.: STRUCTURE OF THYMIDYLATE KINASE REVEALS THE CAUSE BEHIND THE LIMITING STEP IN AZT ACTIVATION. NAT.STRUCT.BIOL. V. 4 601 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:218;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
TMP A:217;
B:217;
Valid;
Valid;
none;
none;
submit data
322.208 C10 H15 N2 O8 P CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TMK 2 Å EC: 2.7.4.9 CRYSTAL STRUCTURE OF YEAST THYMIDYLATE KINASE COMPLEXED WITH THE BISUBSTRATE INHIBITOR TP5A AT 2.0 A RESOLUTION: I MPLICATIONS FOR CATALYSIS AND AZT ACTIVATION SACCHAROMYCES CEREVISIAE KINASE PHOSPHOTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF YEAST THYMIDYLATE KINASE COMPLEXED WITH THE BISUBSTRATE INHIBITOR P1-(5'-ADENOSYL) P5-(5'-THYMIDYL) PENTAPHOSPHATE (TP5A) AT 2.0 A RESOLUTION: IMPLICATIONS FOR CATALYSIS AND AZT ACTIVATION. BIOCHEMISTRY V. 37 3
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2TMK - ATM C10 H14 N5 O7 P CC1=CN(C(=....
2 3TMK Kd = 135 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
3 1TMK - TMP C10 H15 N2 O8 P CC1=CN(C(=....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2TMK - ATM C10 H14 N5 O7 P CC1=CN(C(=....
2 3TMK Kd = 135 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
3 1TMK - TMP C10 H15 N2 O8 P CC1=CN(C(=....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2YOH Ki = 11 uM WMJ C17 H19 N5 O7 CC1=CN(C(=....
2 2YOF Ki = 25 uM 74W C18 H18 Cl F3 N4 O4 S CC1=CN(C(=....
3 2WWF - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 2YOG Ki = 31 uM 74X C18 H18 Cl F3 N4 O4 S CC1=CN(C(=....
5 2V54 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
6 4QGF ic50 = 69 nM 32B C27 H30 Cl N3 O6 CC[C@H](c1....
7 4QG7 ic50 = 10 nM 32K C25 H26 Cl N3 O6 CC1=CN(C(=....
8 4QGH ic50 = 1 nM 32E C28 H31 Cl F N3 O5 CC1=CN(C(=....
9 4GFD Ki = 330 pM 0YB C29 H34 Br N3 O5 CC1=CN(C(=....
10 4GSY ic50 = 120 nM 0Y5 C25 H24 F3 N3 O5 CC1=CN(C(=....
11 4HLC ic50 = 174 nM T05 C24 H25 N3 O7 S Cc1cccc(c1....
12 4TMK Kd = 20 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
13 1E2Q - TMP C10 H15 N2 O8 P CC1=CN(C(=....
14 1E9C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
15 1NN0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 1E2G - TMP C10 H15 N2 O8 P CC1=CN(C(=....
17 1NN1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 1NMX - FDM C10 H14 F N2 O7 P CC1=CN(C(=....
19 1E2E - AF3 Al F3 F[Al](F)F
20 1NN5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
21 1E9B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
22 1E2D - TMP C10 H15 N2 O8 P CC1=CN(C(=....
23 1E99 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
24 1NMY - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 2XX3 - TAE C9 H14 N2 O8 P2 CC1=CN(C(=....
26 1NMZ - NYM C10 H16 N3 O7 P CC1=CN(C(=....
27 1E9D - ATM C10 H14 N5 O7 P CC1=CN(C(=....
28 1NN3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1E9A - Z5A C20 H24 N10 O22 P5 CC1=CN(C(=....
30 1E9F - TMP C10 H15 N2 O8 P CC1=CN(C(=....
31 1E9E - TMP C10 H15 N2 O8 P CC1=CN(C(=....
32 1E98 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
33 1E2F - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
34 2TMK - ATM C10 H14 N5 O7 P CC1=CN(C(=....
35 3TMK Kd = 135 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
36 1TMK - TMP C10 H15 N2 O8 P CC1=CN(C(=....
37 3UWO ic50 = 20 uM 0DJ C14 H12 N4 O2 CN1c2cc(cn....
38 3UXM ic50 = 17 uM 0DN C10 H13 F N2 O4 CC1=CN(C(=....
39 5UIV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 5XB2 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
41 5XB3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 5XAI - TMP C10 H15 N2 O8 P CC1=CN(C(=....
43 5H56 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
44 5H5B - FLC C6 H5 O7 C(C(=O)[O-....
45 5H5K - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TMP; Similar ligands found: 92
No: Ligand ECFP6 Tc MDL keys Tc
1 TMP 1 1
2 TYD 0.80597 0.985714
3 TTP 0.760563 0.985714
4 UFP 0.716418 0.917808
5 TBD 0.708333 0.945205
6 5HU 0.705882 0.957747
7 BRU 0.705882 0.917808
8 5IU 0.695652 0.917808
9 THM 0.693548 0.859155
10 LLT 0.693548 0.859155
11 NYM 0.671429 0.971831
12 FDM 0.671429 0.931507
13 THP 0.661972 0.985507
14 TLO 0.654321 0.931507
15 0DN 0.646154 0.84507
16 ATM 0.64 0.906667
17 BVP 0.64 0.957747
18 DAU 0.635294 0.918919
19 18T 0.623529 0.918919
20 1JB 0.623529 0.918919
21 TRH 0.623529 0.918919
22 3R2 0.623529 0.906667
23 TDX 0.623529 0.931507
24 DWN 0.609195 0.894737
25 T3Q 0.609195 0.894737
26 3YN 0.609195 0.918919
27 T3F 0.609195 0.894737
28 T46 0.602273 0.918919
29 0N2 0.602273 0.883117
30 T3P 0.6 0.957143
31 DT DT DT DT DT 0.597701 0.958333
32 MMF 0.595506 0.894737
33 0FX 0.595506 0.894737
34 AKM 0.593407 0.873418
35 UMP 0.583333 0.956522
36 DU 0.583333 0.956522
37 QDM 0.582418 0.883117
38 DT DT PST 0.577778 0.893333
39 FNF 0.576087 0.906667
40 JHZ 0.576087 0.871795
41 1YF 0.576087 0.906667
42 TXS 0.575342 0.8
43 4TG 0.569892 0.906667
44 T3S 0.56 0.8
45 2DT 0.555556 0.971429
46 ATY 0.548781 0.931507
47 DDN 0.547945 0.956522
48 AZD 0.535714 0.894737
49 FUH 0.53 0.894737
50 QUH 0.53 0.894737
51 T5A 0.524272 0.829268
52 DT DT DT 0.52381 0.890411
53 DT ME6 DT 0.509804 0.881579
54 DCM 0.506494 0.890411
55 DC 0.506494 0.890411
56 AZZ 0.5 0.789474
57 4TA 0.495327 0.817073
58 ABT 0.483516 0.871795
59 QBT 0.480519 0.915493
60 WMJ 0.477778 0.75
61 7SG 0.474138 0.851852
62 TQP 0.474138 0.851852
63 T4K 0.470085 0.841463
64 T5K 0.470085 0.841463
65 DUD 0.469136 0.942857
66 UMC 0.467532 0.901408
67 D3T 0.464286 0.957747
68 TPE 0.463158 0.881579
69 D4M 0.461538 0.927536
70 ID2 0.452055 0.786667
71 UC5 0.451219 0.929577
72 DUT 0.447059 0.942857
73 DUP 0.44186 0.916667
74 DUN 0.440476 0.916667
75 ADS THS THS THS 0.433628 0.776471
76 DT MA7 DT 0.42623 0.807229
77 8OG 0.425287 0.82716
78 BVD 0.423077 0.821918
79 74X 0.42 0.72093
80 74W 0.42 0.72093
81 5FU 0.4125 0.84
82 D4D 0.411765 0.914286
83 PAX 0.408333 0.839506
84 YYY 0.406977 0.878378
85 DA DT DA DA 0.404959 0.82716
86 BTD 0.404762 0.759494
87 DPB 0.404494 0.890411
88 DUT MG 0.404494 0.876712
89 5BU 0.402439 0.84
90 3DT 0.4 0.821918
91 DUS 0.4 0.820513
92 UMP AF3 PO4 0.4 0.842105
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: 285
This union binding pocket(no: 1) in the query (biounit: 3tmk.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QG6 NMN 0.00001163 0.49213 None
2 3PQC GDP 0.0004358 0.48164 None
3 1Z0K GTP 0.003161 0.41826 None
4 3B5J 12D 0.0001781 0.5257 0.925926
5 5IRR GSP 0.001204 0.4396 1.38889
6 5BQ5 ADP BEF 0.0002287 0.49501 1.5873
7 4MKF AP5 0.000001795 0.54825 2.31481
8 1G6O ADP 0.000466 0.48024 2.31481
9 1NHX PEP 0.002301 0.42483 2.31481
10 1NHX FTB 0.002436 0.42483 2.31481
11 2GMV PEP 0.001239 0.41457 2.31481
12 2GMV UN8 0.003891 0.4028 2.31481
13 1M7G ADX 0.0002018 0.45295 2.36967
14 1M7G ADP 0.0002057 0.44937 2.36967
15 1M7G AV2 0.00002176 0.40948 2.36967
16 2F9L GDP 0.003824 0.41477 2.51256
17 2WMO GTP 0.0007516 0.47033 2.63158
18 2WJG GDP 0.00007569 0.53075 2.65957
19 2AWN ADP 0.000006564 0.61988 2.77778
20 4MKG AP5 0.000001388 0.55121 2.77778
21 4J0Q GDP 0.0001117 0.5291 2.77778
22 3U6B GDP 0.0001178 0.52791 2.77778
23 3WYA GDP 0.0001539 0.51532 2.77778
24 4G5G GDP 0.0002314 0.50646 2.77778
25 3U6K GDP 0.0003586 0.49694 2.77778
26 4HSE ADP 0.0007284 0.47611 2.77778
27 2BVN GNP 0.0007452 0.46567 2.77778
28 4NU0 AP5 0.000006481 0.46015 2.77778
29 2C78 GNP 0.002309 0.42743 2.77778
30 4RW3 SHV 0.01365 0.42384 2.77778
31 3VX3 ADP 0.01018 0.40578 2.77778
32 1LPD ADE 0.02979 0.40059 2.77778
33 4TTQ ATP 0.000003855 0.43934 2.7907
34 2JAQ DCP 0.00001423 0.51729 2.92683
35 5E95 GDP 0.001209 0.45147 2.97619
36 1CLU DBG 0.003125 0.4184 3.01205
37 1LVG ADP 0.000003964 0.41371 3.0303
38 2WIC GNP 0.0000318 0.54256 3.24074
39 2IYL GDP 0.0002158 0.50798 3.24074
40 4IEE AGS 0.0004618 0.49748 3.24074
41 1Z6T ADP 0.0007625 0.46062 3.24074
42 4GOX A3P 0.00156 0.43121 3.24074
43 1GXU 2HP 0.0002788 0.52755 3.2967
44 1KO8 6PG 0.00001268 0.4502 3.42857
45 1GRN GDP 0.001569 0.44628 3.44828
46 2B4B B33 0.04303 0.40164 3.50877
47 2CJW GDP 0.00005228 0.53879 3.64583
48 2CBZ ATP 0.000008815 0.61558 3.7037
49 4B47 GDP 0.0001749 0.51911 3.7037
50 4QOS ADP 0.0002132 0.49646 3.7037
51 1V8K ANP 0.0005154 0.48906 3.7037
52 2GDJ ANP 0.0005904 0.48611 3.7037
53 3RC3 ANP 0.001324 0.47401 3.7037
54 1ZIN AP5 0.000001802 0.46547 3.7037
55 2OM2 GDP 0.0004327 0.46291 3.7037
56 1TQ4 GDP 0.0005954 0.45682 3.7037
57 4H1V GNP 0.001307 0.44992 3.7037
58 1SVK ALF GDP 0.001401 0.41876 3.7037
59 4TMZ GSP 0.003459 0.41661 3.7037
60 5HR5 FLC 0.002188 0.41402 3.7037
61 1I0B PEL 0.02579 0.41008 3.7037
62 1Y3A GDP 0.0007223 0.40459 3.7037
63 1MH1 GNP 0.001945 0.40395 3.76344
64 1M7B GTP 0.00236 0.43057 3.80435
65 1G4U GDP 0.00369 0.42558 3.80435
66 2W58 ADP 0.000003812 0.63818 3.9604
67 3NKV GNP 0.003562 0.41932 4
68 1Z08 GNP 0.007463 0.40248 4.11765
69 4YDS ATP 0.0002162 0.52128 4.16667
70 1ZUI SKM 0.00002533 0.4946 4.16667
71 2HF9 GSP 0.0001445 0.49365 4.16667
72 4LYA ATP 0.0006361 0.47898 4.16667
73 5JCZ GDP 0.002431 0.43371 4.16667
74 4NON GDP 0.001519 0.41883 4.16667
75 4OI4 ATP 0.005028 0.40974 4.16667
76 4X8O AP5 0.000003441 0.4358 4.20561
77 1GP2 GDP 0.0004346 0.45465 4.22535
78 1NRJ GTP 0.0002727 0.40903 4.43038
79 4HI0 GDP 0.0004236 0.46331 4.52261
80 4DID GDP 0.0006271 0.47928 4.60526
81 2DPY ADP 0.0007118 0.49405 4.62963
82 1JWY GDP 0.0002266 0.48982 4.62963
83 1W7J ADP BEF 0.0004697 0.47024 4.62963
84 1JWY ADP 0.001106 0.46725 4.62963
85 1K6M AGS 0.0002395 0.46556 4.62963
86 5JCP GDP ALF 0.001083 0.45365 4.62963
87 1E2K TMC 0.00002208 0.43706 4.62963
88 1UJ2 C5P 0.0004429 0.42793 4.62963
89 1UJ2 ADP 0.0005061 0.42564 4.62963
90 1KI6 AHU 0.01274 0.42346 4.62963
91 4OHY ANP 0.003641 0.41256 4.62963
92 4QM7 GTP 0.00002137 0.40611 4.62963
93 2B8W ALF 5GP 0.001196 0.40159 4.62963
94 1BO4 COA 0.004301 0.44292 4.7619
95 3MJH GTP 0.004223 0.40695 4.7619
96 4M9Q GNP 0.0008947 0.44515 4.84582
97 3LXR GDP 0.0008705 0.46728 4.86486
98 1TX4 ALF GDP 0.006908 0.4039 5.08475
99 3DZD ADP 0.001485 0.45168 5.09259
100 2CHG ANP 0.003548 0.43007 5.09259
101 2XTN GTP 0.002372 0.42353 5.09259
102 4BQS K2Q 0.00003411 0.48948 5.11364
103 4BQS ADP 0.00003411 0.44659 5.11364
104 1QF9 C5P 0.000001981 0.54014 5.15464
105 1QF9 ADP 0.000001981 0.54014 5.15464
106 1QF9 ALF 0.000001981 0.54014 5.15464
107 2GJ8 ALF GDP 0.003848 0.40574 5.23256
108 5KUT GDP 0.00003757 0.40607 5.29101
109 1ZD9 GDP 0.0002936 0.47483 5.31915
110 1U8Z GDP 0.003709 0.41533 5.35714
111 5DI3 GNP 0.001337 0.43764 5.40541
112 1UKZ ADP 0.000002346 0.532 5.41872
113 3LRE ADP 0.00004457 0.56779 5.55556
114 1S3G AP5 0.000001523 0.54958 5.55556
115 2OBM ADP 0.001014 0.49576 5.55556
116 1G7S GDP 0.0007359 0.47589 5.55556
117 1WDT GTP 0.0009577 0.45183 5.55556
118 2FNA ADP 0.0009827 0.4434 5.55556
119 3FKQ ATP 0.001995 0.44151 5.55556
120 3Q9L ATP 0.004397 0.4258 5.55556
121 2X7I CIT 0.01546 0.41499 5.55556
122 2QEN ADP 0.0001696 0.40424 5.55556
123 4PPF FLC 0.0000004529 0.69045 6.01852
124 3CNL GNP 0.00001289 0.57719 6.01852
125 4AG5 ADP 0.00008005 0.54963 6.01852
126 3NHB ADP 0.0001219 0.54 6.01852
127 5FTB ANP 0.0001664 0.50161 6.01852
128 1YRB GDP 0.0005874 0.47049 6.01852
129 2GK6 ADP 0.002492 0.4654 6.01852
130 5XDR ADP 0.001678 0.45839 6.01852
131 5FHD ADP ALF 0.0006988 0.45377 6.01852
132 3EZ2 ADP 0.004245 0.44803 6.01852
133 2ORV 4TA 0.0008649 0.43497 6.01852
134 2BCG GDP 0.002535 0.43289 6.01852
135 1F5N GNP 0.00208 0.41642 6.01852
136 2ZE7 DST 0.001277 0.41028 6.01852
137 1L2T ATP 0.004866 0.40733 6.01852
138 3KTA AP5 0.001268 0.45488 6.04396
139 3T12 GDP ALF 0.001049 0.44219 6.06061
140 3DOE GTP 0.0002036 0.42368 6.06061
141 3REF GDP 0.003535 0.41946 6.18557
142 3H86 AP5 0.0001054 0.46861 6.25
143 3W5J GDP 0.000001249 0.65785 6.37255
144 1JI0 ATP 0.00004401 0.55765 6.48148
145 4DKX GDP 0.00007409 0.53121 6.48148
146 1VHT BA3 0.0003731 0.48486 6.48148
147 4R43 GDP 0.001284 0.46922 6.48148
148 1X6V ADP 0.0001776 0.45183 6.48148
149 4A4Z ANP 0.004411 0.44237 6.48148
150 1IHU AF3 0.004213 0.41618 6.48148
151 1IHU ADP 0.005677 0.40751 6.48148
152 2QQ0 THM 0.000585 0.42606 6.52174
153 2QQ0 ANP 0.0006877 0.41283 6.52174
154 2QQ0 TMP 0.0007766 0.411 6.52174
155 2G77 GDP 0.001143 0.45258 6.56566
156 1Z83 AP5 0.000027 0.45959 6.63265
157 1W4R TTP 0.0002537 0.44931 6.66667
158 1HE1 GDP 0.004643 0.41765 6.66667
159 3BER AMP 0.01398 0.41719 6.82731
160 1Z06 GNP 0.001255 0.43173 6.87831
161 1G6H ADP 0.000006011 0.61986 6.94444
162 5G41 AP5 0.0000004604 0.57823 6.94444
163 1SQ5 ADP 0.00003812 0.53871 6.94444
164 4LPS GDP 0.00005154 0.53231 6.94444
165 4XGU ADP 0.0007657 0.46054 6.94444
166 3B7G ANP 0.001798 0.45692 6.94444
167 2C04 GCP 0.00418 0.42681 6.94444
168 4NE2 ADP 0.0008293 0.40187 6.94444
169 3A1S GDP 0.00008531 0.52162 7.36434
170 2X77 GDP 0.00001953 0.5529 7.40741
171 2ZTS ADP 0.001896 0.43854 7.40741
172 3KUD GDP 0.004855 0.4168 7.40741
173 3BD9 A3P 0.01595 0.41045 7.40741
174 1WQ1 AF3 0.0455 0.40413 7.40741
175 5TAR GDP 0.00027 0.48627 7.43243
176 1ZJ6 G3D 0.00005725 0.53008 7.48663
177 3AQ4 GDP 0.00004867 0.53353 7.6087
178 3IIJ ADP 0.000009648 0.418 7.77778
179 2A5J GDP 0.0006035 0.47488 7.8534
180 4DCT GDP 0.0001871 0.50495 7.87037
181 1G41 ADP 0.0004775 0.47974 7.87037
182 2ZFI ADP 0.001155 0.47152 7.87037
183 3TKL GTP 0.006193 0.40299 7.87037
184 4YS0 ADP 0.01521 0.40106 7.87037
185 2A5F GTP 0.0001498 0.43406 8
186 3PCR GTP 0.00046 0.4536 8.02469
187 4BAS GNP 0.0003066 0.41297 8.0402
188 2RGX AP5 0.000001477 0.55318 8.25243
189 3FB4 AP5 0.000003613 0.53449 8.33333
190 1RRC ADP 0.000001174 0.40027 8.33333
191 1YZG GDP 0.00004571 0.40111 8.37989
192 1O3Y GTP 0.0001527 0.47381 8.43373
193 1J2J GTP 0.0001883 0.46997 8.43373
194 2J59 GTP 0.0001979 0.46906 8.43373
195 1R4A GNP 0.0002429 0.42623 8.48485
196 1S9D GDP 0.00006406 0.5277 8.53659
197 3N5C GDP 0.00005673 0.53701 8.64198
198 1UPT GTP 0.0001951 0.41878 8.77193
199 1TU3 GNP 0.001649 0.41027 8.77193
200 2BIF SIN 0.0007494 0.44465 8.7963
201 2BIF ANP 0.0005878 0.43778 8.7963
202 1W5T ADP 0.01294 0.40428 8.7963
203 1W5T ANP 0.009636 0.40369 8.7963
204 3BFX A3P 0.01304 0.40094 8.7963
205 1R2Q GNP 0.002726 0.41286 8.82353
206 3B9Q MLI 0.0003014 0.51858 9.25926
207 3DEF GDP 0.0004714 0.47496 9.25926
208 1OE0 TTP 0.00002747 0.47296 9.25926
209 1G3Q ADP 0.001237 0.46487 9.25926
210 2C9O ADP 0.002462 0.42976 9.25926
211 5L3R GCP 0.002038 0.42301 9.25926
212 1D2N ANP 0.003805 0.42145 9.25926
213 4WZ6 ATP 0.00008889 0.54736 9.72222
214 4LC1 GDP 0.00009035 0.5269 9.72222
215 4Q1A 2XZ 0.0002021 0.5216 9.72222
216 4Q1A UDP 0.0002021 0.5216 9.72222
217 1FP6 ADP 0.000937 0.46102 9.72222
218 1B0U ATP 0.001708 0.44883 9.72222
219 1YTM ATP 0.0009252 0.44842 9.72222
220 1FNN ADP 0.002496 0.43319 9.72222
221 1ZCB GDP 0.0005689 0.41822 9.72222
222 2WKQ GTP 0.005709 0.40741 9.72222
223 4LHW GNP 0.00615 0.40311 9.77011
224 2OFW ADX 0.00004794 0.48795 10.0962
225 2ZR9 DTP 0.00007358 0.53136 10.1852
226 3BFV ADP 0.0006853 0.48287 10.1852
227 1GOJ ADP 0.00003818 0.57274 10.6481
228 1P72 ADP 0.00003304 0.46227 10.6481
229 1P72 THM 0.01463 0.42481 10.6481
230 3FVQ ATP 0.004505 0.41823 10.6481
231 2QTV GNP 0.001222 0.40257 10.7784
232 5KDO GDP 0.0002442 0.47381 10.8108
233 1GOT GDP 0.0006124 0.4028 10.9589
234 1JJ7 ADP 0.000006415 0.61745 11.1111
235 2OG2 MLI 0.00005402 0.56177 11.1111
236 1SKQ GDP 0.0001312 0.52552 11.1111
237 3QXC ATP 0.0008328 0.43229 11.157
238 4YLG GDP 0.0002158 0.40022 11.5607
239 5GOE GDP 0.0002592 0.49241 11.5741
240 5VGR GDP 0.000423 0.47232 11.5741
241 4GBM A3P 0.004928 0.41011 11.5741
242 2V7Q ATP 0.0001545 0.50314 11.6438
243 2V7Q ADP 0.001194 0.4708 11.6438
244 2CK3 ANP 0.005982 0.41616 11.6438
245 2CK3 ADP 0.006851 0.40405 11.6438
246 2FH5 GTP 0.001103 0.44508 11.6822
247 2PEZ GGZ 0.00006235 0.47445 11.7318
248 2PEZ DAT 0.00006235 0.47445 11.7318
249 3GJ7 GDP 0.0001902 0.51072 12.037
250 3GJ0 GDP 0.0002089 0.50869 12.037
251 3GJ8 GDP 0.0002953 0.49527 12.037
252 4WZA ACP 0.007208 0.41684 12.037
253 4WZA ADP 0.007208 0.41684 12.037
254 1OS1 PYR 0.002745 0.40743 12.5
255 1OS1 ATP 0.003398 0.40241 12.5
256 4IDN GNP 0.001535 0.43506 13.4259
257 4BFW ZVW 0.00007108 0.41361 13.4259
258 4K81 GTP 0.002433 0.40386 13.4259
259 3FYH ADP 0.006471 0.40219 13.4259
260 1B7T ADP 0.003635 0.43761 14.7436
261 1KK8 BEF ADP 0.005354 0.42188 15.1079
262 2XT3 ADP 0.00004875 0.56453 15.2778
263 1FQJ GDP 0.002664 0.4214 15.2778
264 1FQK GDP 0.003104 0.4186 15.2778
265 1FQK ALF 0.04291 0.40332 15.2778
266 1FQJ ALF 0.04832 0.40034 15.2778
267 4V0K GDP 0.0006436 0.44374 15.3846
268 1Z2A GDP 0.002533 0.42233 15.4762
269 1I4D GDP 0.0004243 0.49937 15.7407
270 2PL3 ADP 0.0007787 0.48584 16.6667
271 4P4T GDP 0.0002439 0.47843 17.1296
272 1AKY AP5 0.000002122 0.47225 17.1296
273 1G7C 5GP 0.007325 0.43132 17.1296
274 1QHH ATP 0.004522 0.43732 17.1598
275 2W83 GTP 0.0002174 0.46733 18.1818
276 4CVN ADP 0.00001146 0.5884 18.3246
277 1YVD GNP 0.005712 0.4016 18.3432
278 4G86 BNT 0.03047 0.41199 18.5185
279 2Y8E GNP 0.003181 0.41196 19.5531
280 3RLF ANP 0.004508 0.41175 20.8333
281 1Y63 ADP 0.00002286 0.55676 22.8261
282 2NCD ADP 0.00001639 0.58586 25.9259
283 2QN6 GDP 0.00007937 0.5367 26.8817
284 5F7Y GLC GAL NAG GAL FUC A2G 0.007292 0.42715 31.4815
285 3WY9 GDP 0.0002602 0.51026 34.375
Pocket No.: 2; Query (leader) PDB : 3TMK; Ligand: T5A; 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: 3tmk.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: 9
This union binding pocket(no: 3) in the query (biounit: 3tmk.bio3) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2DTJ THR 0.01104 0.42496 1.38889
2 4AMF ACP 0.03285 0.40815 3.24074
3 4LAX FK5 0.03495 0.40707 3.7037
4 3AB4 THR 0.02771 0.40843 4.16667
5 2X2T GAL NGA 0.02887 0.41305 4.57516
6 2FDW D3G 0.02718 0.40887 7.87037
7 1YXM ADE 0.02667 0.42306 11.1111
8 4C2C ALA ALA ALA 0.04084 0.40488 11.1111
9 4S00 AKR 0.02702 0.41086 16.6667
Pocket No.: 4; Query (leader) PDB : 3TMK; Ligand: T5A; 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: 3tmk.bio3) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: 6
This union binding pocket(no: 5) in the query (biounit: 3tmk.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F9U PBD 0.04667 0.40354 1.85185
2 2FGQ MLT 0.01145 0.42038 3.7037
3 1P3D ANP 0.01469 0.40169 3.7037
4 3T34 GDP 0.008951 0.40542 6.48148
5 4DS8 A8S 0.02833 0.40059 11.1111
6 1GQY ACP 0.0229 0.40186 12.5
Pocket No.: 6; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3tmk.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3tmk.bio4) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: 3
This union binding pocket(no: 8) in the query (biounit: 3tmk.bio4) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4NZ6 DLY 0.02273 0.42783 4.16667
2 4NZ6 DGL 0.02282 0.4195 4.16667
3 2G77 AF3 0.01253 0.43313 6.56566
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