Receptor
PDB id Resolution Class Description Source Keywords
1WUR 1.82 Å EC: 3.5.4.16 STRUCTURE OF GTP CYCLOHYDROLASE I COMPLEXED WITH 8-OXO-DGTP THERMUS THERMOPHILUS BETA BARREL PROTEIN-INHIBITOR COMPLEX HYDROLASE PTERIDINETETRAHYDROBIOPTERIN STRUCTURAL GENOMICS NPPSFA NATIONAL ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTGENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: NOVEL REACTION MECHANISM OF GTP CYCLOHYDROLASE I. HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY OF THERMUS THERMOPHILUS HB8 ENZYME COMPLEXED WITH A TRANSITION ANALOGUE, THE 8-OXOGUANINE DERIVATIVE J.BIOCHEM.(TOKYO) V. 138 263 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8DG A:821;
A:825;
C:822;
D:823;
D:824;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
523.18 C10 H16 N5 O14 P3 C1[C@...
ZN A:1001;
B:1002;
C:1003;
D:1004;
E:1005;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WUR 1.82 Å EC: 3.5.4.16 STRUCTURE OF GTP CYCLOHYDROLASE I COMPLEXED WITH 8-OXO-DGTP THERMUS THERMOPHILUS BETA BARREL PROTEIN-INHIBITOR COMPLEX HYDROLASE PTERIDINETETRAHYDROBIOPTERIN STRUCTURAL GENOMICS NPPSFA NATIONAL ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTGENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: NOVEL REACTION MECHANISM OF GTP CYCLOHYDROLASE I. HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY OF THERMUS THERMOPHILUS HB8 ENZYME COMPLEXED WITH A TRANSITION ANALOGUE, THE 8-OXOGUANINE DERIVATIVE J.BIOCHEM.(TOKYO) V. 138 263 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WUQ - 8GT C10 H16 N5 O15 P3 C([C@@H]1[....
2 1WUR - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WUQ - 8GT C10 H16 N5 O15 P3 C([C@@H]1[....
2 1WUR - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WUQ - 8GT C10 H16 N5 O15 P3 C([C@@H]1[....
2 1WUR - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8DG; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 8DG 1 1
2 8GD 0.897436 1
3 8OG 0.775 0.9875
4 8HG 0.670886 0.901235
5 8GT 0.644444 0.95
6 G8D 0.586957 0.95
7 8GM 0.505376 0.9375
8 DCP 0.505263 0.875
9 DUT 0.5 0.8375
10 TTP 0.489583 0.829268
11 6U4 0.475728 0.95
12 8DD 0.470588 0.845238
13 DGT 0.461538 0.857143
14 MGT 0.433962 0.872093
15 YYY 0.43299 0.875
16 DUD 0.427083 0.8375
17 2X3 0.422018 0.879518
18 TYD 0.418367 0.829268
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WUR; Ligand: 8DG; Similar sites found: 441
This union binding pocket(no: 1) in the query (biounit: 1wur.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.004555 0.47233 None
2 2ALG DAO 0.0007047 0.46168 None
3 1UO4 PIH 0.007552 0.45076 None
4 2XRH NIO 0.003236 0.44572 None
5 1PTR PRB 0.006425 0.43176 None
6 1H8P PC 0.01278 0.43088 None
7 2WG9 OCA 0.01916 0.41149 None
8 4CQK PIO 0.02388 0.41026 None
9 1L0I PSR 0.02619 0.40354 None
10 4K30 NLG 0.01215 0.40284 None
11 1QH9 LAC 0.004266 0.43359 0.909091
12 1LYX PGA 0.0034 0.40693 0.909091
13 1HFA PIO 0.0001783 0.60114 1.36364
14 1O9U ADZ 0.002502 0.46687 1.36364
15 1B5E DCM 0.002583 0.42579 1.36364
16 3UST FAD 0.000845 0.42469 1.36364
17 2Z9V PXM 0.005369 0.41784 1.36364
18 1YHM AHD 0.0123 0.40749 1.36364
19 2BOI MFU 0.01394 0.40031 1.36364
20 3DCM SAM 0.000933 0.41029 1.5625
21 1YRX FMN 0.00189 0.41644 1.65289
22 3I6B KDO 0.004913 0.41947 1.66667
23 3BRE C2E 0.004379 0.43308 1.81818
24 1JT2 FER 0.007418 0.42216 1.81818
25 1AX2 NDG GAL 0.004976 0.41923 1.81818
26 2FGQ MLT 0.01934 0.40384 1.81818
27 3H8V ATP 0.008858 0.40102 1.81818
28 1GU3 BGC BGC BGC BGC BGC 0.009607 0.40716 2.01342
29 3WUD GLC GAL 0.03364 0.40332 2.20588
30 4M51 BEZ 0.0004764 0.49356 2.27273
31 1T3D CYS 0.0009511 0.47062 2.27273
32 1F1V DHY 0.001748 0.43272 2.27273
33 2OWZ CIT 0.005056 0.43025 2.27273
34 1M1B SPV 0.003783 0.42988 2.27273
35 1Y7P RIP 0.01405 0.42196 2.27273
36 1U5R ATP 0.001642 0.41424 2.27273
37 3ZF8 GDP 0.00377 0.41419 2.27273
38 3DGB MUC 0.00459 0.4063 2.27273
39 1GSA GSH 0.001876 0.40396 2.27273
40 2Q8M AMP 0.006204 0.40127 2.27273
41 1XE7 GUN 0.01107 0.43405 2.46305
42 1I1Q TRP 0.002828 0.42418 2.60417
43 1EJE FMN 0.0009066 0.41479 2.60417
44 2X2T GAL NGA 0.004092 0.45603 2.61438
45 1Z42 HBA 0.0009151 0.52081 2.72727
46 4RJK PYR 0.0005513 0.49047 2.72727
47 2Q8H TF4 0.00118 0.48342 2.72727
48 2R00 OEG 0.001475 0.46171 2.72727
49 1I0Z OXM 0.004317 0.45485 2.72727
50 1Z44 NPO 0.01032 0.45254 2.72727
51 4B9E FAH 0.003024 0.4471 2.72727
52 4KGM ATP 0.0005256 0.44244 2.72727
53 2H12 OAA 0.005824 0.43004 2.72727
54 3L24 GOA 0.02081 0.42006 2.72727
55 3GTD MLI 0.007246 0.41755 2.72727
56 1KYQ NAD 0.001011 0.41317 2.72727
57 3RKR NAP 0.00316 0.41254 2.72727
58 3NKS ACJ 0.002331 0.40872 2.72727
59 4BT5 23B 0.006883 0.4084 2.72727
60 3P0F BAU 0.002574 0.40717 2.72727
61 3K5X P8D 0.005742 0.40695 2.72727
62 4G09 0VD 0.0031 0.40423 2.72727
63 1Z44 FMN 0.00442 0.40268 2.72727
64 2AWN ADP 0.03784 0.40103 2.72727
65 3UEC ALA ARG TPO LYS 0.003278 0.44546 2.73973
66 3O03 GCO 0.0009014 0.48935 2.74914
67 1W3R PYR 0.0262 0.40868 2.77778
68 3CH5 GDP 0.004316 0.40734 2.77778
69 1QY1 PRZ 0.001057 0.40464 2.87356
70 4PO2 ASN ARG LEU LEU LEU THR GLY 0.000805 0.4047 2.97872
71 3CBG FER 0.00755 0.44252 3.01724
72 3CBG 4FE 0.01518 0.43462 3.01724
73 4B16 NAG 0.004311 0.46369 3.18182
74 2XNJ FAD 0.0006372 0.45686 3.18182
75 1RYD GLC 0.002114 0.44736 3.18182
76 2NCD ADP 0.00155 0.44677 3.18182
77 4JRB PGT 0.0007607 0.43628 3.18182
78 1ZGA SAH 0.0006092 0.43477 3.18182
79 2G30 ALA ALA PHE 0.004776 0.43046 3.18182
80 3I0O ADP 0.001577 0.42917 3.18182
81 4COQ SAN 0.005417 0.4289 3.18182
82 1UOU CMU 0.001227 0.42344 3.18182
83 1TDF FAD 0.00223 0.41954 3.18182
84 3NNF AKG 0.009134 0.41863 3.18182
85 3GJB AKG 0.004567 0.41568 3.18182
86 1LTH FBP 0.01065 0.4156 3.18182
87 1OIK AKG 0.01218 0.41297 3.18182
88 1D8C GLV 0.03564 0.41224 3.18182
89 1P7T PYR 0.02185 0.41079 3.18182
90 2PT9 2MH 0.002271 0.40661 3.18182
91 1ZGA HMK 0.006101 0.40155 3.18182
92 2Y7P SAL 0.001505 0.44114 3.21101
93 1FW1 GSH 0.003446 0.40671 3.24074
94 3PNA CMP 0.001597 0.43432 3.24675
95 4G28 0W8 0.0005397 0.45354 3.3557
96 2Q09 DI6 0.0008031 0.44649 3.36538
97 2DTJ THR 0.0006121 0.44542 3.37079
98 4NAO AKG 0.006543 0.43139 3.37423
99 1YFZ IMP 0.004651 0.42596 3.41463
100 4EXO PYR 0.000999 0.47792 3.42466
101 2VQ5 LDP 0.006483 0.44588 3.48259
102 2VQ5 HBA 0.02683 0.40251 3.48259
103 2OFE NAG 0.0046 0.43211 3.52113
104 2OFD NGA 0.005282 0.4294 3.52113
105 2BZ1 TAU 0.002687 0.48508 3.57143
106 4JCA CIT 0.0112 0.44165 3.59281
107 1JN2 SFP 0.001315 0.52409 3.63636
108 1SOW OXL 0.00286 0.46392 3.63636
109 2HVW DDN 0.000415 0.44098 3.63636
110 1Y7I SAL 0.002534 0.43159 3.63636
111 3NHB ADP 0.008971 0.43111 3.63636
112 3KYF 5GP 5GP 0.001766 0.42723 3.63636
113 1V6A TRE 0.004495 0.42661 3.63636
114 1NNS ASP 0.002642 0.42031 3.63636
115 4E28 0MZ 0.007015 0.41817 3.63636
116 3B5J 12D 0.01598 0.41559 3.63636
117 1CBF SAH 0.001676 0.41392 3.63636
118 1PX8 XYP 0.009478 0.41245 3.63636
119 1EYE PMM 0.003215 0.41225 3.63636
120 2DVZ GLU 0.01507 0.40833 3.63636
121 2W8Q SIN 0.02159 0.40698 3.63636
122 2DWU DGL 0.00769 0.40643 3.63636
123 3AYS CT3 0.006348 0.40522 3.63636
124 2ZJ5 ADP 0.03019 0.40387 3.63636
125 2P4Q FLC 0.01944 0.40373 3.63636
126 1R6W 164 0.003583 0.40195 3.63636
127 2CE7 ADP 0.004649 0.40186 3.63636
128 3R51 MMA 0.001135 0.48427 3.75
129 3JQM GTP 0.007204 0.40759 3.82166
130 1X8D RNS 0.02938 0.4018 3.84615
131 2Q37 3AL 0.0006762 0.46247 3.8674
132 1ULE GLA GAL NAG 0.001041 0.47705 4
133 2Z9C FMN 0.001601 0.40246 4
134 3PLN U5P 0.01268 0.40206 4.00943
135 4R3L COA 0.0004411 0.43248 4.04624
136 1XX4 BAM 0.0002275 0.51965 4.09091
137 2F2U M77 0.0001344 0.47146 4.09091
138 2JFV FLC 0.0008273 0.46574 4.09091
139 3MAG 3MA 0.004158 0.46452 4.09091
140 2YIV NBN 0.001814 0.4575 4.09091
141 4ME6 ADP 0.0009387 0.45626 4.09091
142 2YIV YIV 0.00299 0.45475 4.09091
143 4C2G ALA ALA ALA ALA 0.0008328 0.44585 4.09091
144 1FBL HTA 0.0007856 0.44114 4.09091
145 4LIT AKG 0.003138 0.43342 4.09091
146 1EYQ NAR 0.001692 0.43329 4.09091
147 4JOB TLA 0.009042 0.4292 4.09091
148 2RCN GDP 0.001781 0.42708 4.09091
149 4DQ2 BTX 0.0004058 0.42466 4.09091
150 3MCT 3MC 0.00403 0.4231 4.09091
151 4C6F NCD 0.002543 0.42096 4.09091
152 4C6F DOR 0.002543 0.42096 4.09091
153 1QDS PGA 0.002797 0.41932 4.09091
154 1UF5 CDT 0.004664 0.41053 4.09091
155 4OYA 1VE 0.02192 0.40828 4.09091
156 2WQP WQP 0.001132 0.40689 4.09091
157 2JBH 5GP 0.008029 0.40566 4.09091
158 3R7F CP 0.02996 0.40382 4.09091
159 1E2S CSN 0.004531 0.40228 4.09091
160 2FR6 CTN 0.0008622 0.41554 4.10959
161 4F8L GAL 0.01932 0.43732 4.13793
162 4A6F SEP 0.002315 0.478 4.16667
163 3S9K CIT 0.003856 0.47794 4.23729
164 3E81 SLB 0.003459 0.43157 4.26829
165 1MQ0 BRD 0.003971 0.40441 4.28571
166 1Y1A GSH 0.003065 0.47735 4.37158
167 1MXI SAH 0.001962 0.4033 4.375
168 1YOA FMN 0.01307 0.44681 4.40252
169 1A5V Y3 0.001642 0.44568 4.43038
170 3UBW 6SP 0.00005725 0.60784 4.54545
171 2XDQ MGX 0.0005097 0.5019 4.54545
172 3I7S PYR 0.0007639 0.48358 4.54545
173 1P72 THM 0.0004206 0.46446 4.54545
174 2VAR AMP 0.00045 0.45071 4.54545
175 1WTC ACP 0.003402 0.44471 4.54545
176 2VAR KDG 0.0005293 0.44232 4.54545
177 2VAR KDF 0.0007127 0.43736 4.54545
178 3CL5 SIO 0.00495 0.43707 4.54545
179 4WVH ASP HIS ASP ALA HIS ALA 0.001726 0.43294 4.54545
180 3U7Y FLC 0.03171 0.42595 4.54545
181 3BK2 U5P 0.001646 0.42341 4.54545
182 2Y6P CTP 0.003618 0.4149 4.54545
183 4Q0A 4OA 0.001394 0.40839 4.54545
184 5EQU AKG 0.02706 0.40799 4.54545
185 1SQ5 PAU 0.009838 0.40672 4.54545
186 1SQ5 ADP 0.005633 0.40289 4.54545
187 1SJD NPG 0.0004303 0.40256 4.54545
188 2ZZV LAC 0.03191 0.40083 4.54545
189 1R5A GTS 0.005564 0.41218 4.58716
190 3NOJ PYR 0.03885 0.40738 4.62185
191 1V2X SAM 0.00123 0.40629 4.63918
192 1TH8 ADP 0.008362 0.40048 4.82759
193 1NF8 BOG 0.005006 0.43684 4.83092
194 1NF8 ISC 0.001382 0.42632 4.83092
195 3T2W BTN 0.001234 0.43339 4.91803
196 1Y2W NAG 0.00004845 0.52132 4.92958
197 3BY8 MLT 0.004127 0.44077 4.92958
198 4QVH FLC 0.0002812 0.54377 5
199 4W6Z ETF 0.001533 0.47766 5
200 2XUM OGA 0.00121 0.45829 5
201 3P3N AKG 0.001495 0.45414 5
202 4B7E OGA 0.004596 0.42619 5
203 2VMD MBG 0.01631 0.42548 5
204 2CBZ ATP 0.01379 0.42293 5
205 4WX0 HXD 0.001024 0.42166 5
206 2ZE3 AKG 0.008489 0.41455 5
207 3DX5 DHB 0.003999 0.41318 5
208 4P4T GDP 0.001157 0.41116 5
209 4JP3 CIT 0.003749 0.40968 5
210 4CCO OGA 0.008594 0.40921 5
211 3FW3 GLC 0.04512 0.40738 5
212 2HXT EHM 0.004017 0.40423 5
213 1C1L GAL BGC 0.0001481 0.50841 5.10949
214 4N7C AEF 0.001746 0.45827 5.11364
215 3U1T MLI 0.01336 0.41682 5.17799
216 1VQ2 DDN 0.000187 0.44322 5.18135
217 2YD6 FLC 0.0000194 0.62129 5.18868
218 1YQC GLV 0.0002938 0.50394 5.29412
219 3LTW HLZ 0.0002207 0.49162 5.45455
220 3SQG COM 0.002004 0.48132 5.45455
221 1RYI GOA 0.005677 0.47016 5.45455
222 4M5P 23W 0.002863 0.45567 5.45455
223 1YBH P22 0.0006856 0.44348 5.45455
224 3O2K QRP 0.0007227 0.44257 5.45455
225 4M5P MLA 0.01602 0.43337 5.45455
226 2QGI UDP 0.004249 0.42767 5.45455
227 3QP6 HL6 0.001675 0.4184 5.45455
228 4DYO SD4 0.004058 0.41778 5.45455
229 2P69 PLP 0.01069 0.41017 5.45455
230 2EJU SAH 0.001498 0.40732 5.45455
231 3DG6 MUC 0.003857 0.40489 5.45455
232 4JEJ 1GP 0.006307 0.401 5.45455
233 3QP4 HL0 0.003233 0.40357 5.49451
234 1ECM TSA 0.0003822 0.45965 5.50459
235 1OGZ EQU 0.00329 0.41186 5.6
236 3UDG TMP 0.04033 0.40529 5.64784
237 1JGS SAL 0.001492 0.49929 5.7971
238 4U9W SER GLY ARG GLY LYS NH2 0.01154 0.41132 5.7971
239 4U9W COA 0.00125 0.408 5.7971
240 4F2Q QUS 0.0000541 0.47394 5.90909
241 4WBD ADP 0.0009217 0.47126 5.90909
242 1Y42 TYR 0.0004125 0.46481 5.90909
243 3MD0 GDP 0.001271 0.43836 5.90909
244 2NVK NAP 0.001894 0.43692 5.90909
245 1TRD PGH 0.0007338 0.43688 5.90909
246 2WMO GTP 0.001033 0.42623 5.90909
247 2HW1 FRU 0.004862 0.42512 5.90909
248 1A8S PPI 0.01871 0.41092 5.90909
249 1LDM OXM 0.005388 0.40805 5.90909
250 3A1I UNU 0.006411 0.40505 5.90909
251 1R27 MGD 0.003166 0.40405 5.90909
252 4AMV F6R 0.003955 0.4004 5.90909
253 1FWV SGA MAG FUC 0.03988 0.40092 5.97015
254 1TUV VK3 0.00438 0.45453 6.14035
255 1S8F GDP 0.004432 0.40263 6.21469
256 1SJW NGV 0.003621 0.40179 6.25
257 9LDT OXM 0.001061 0.49596 6.36364
258 1AUA BOG 0.0008195 0.45226 6.36364
259 1CKM GTP 0.0009451 0.44361 6.36364
260 4JWX 1N4 0.00199 0.43602 6.36364
261 1A59 CIT 0.005654 0.43436 6.36364
262 3W54 RNB 0.001041 0.42609 6.36364
263 3ZUY TCH 0.003055 0.41781 6.36364
264 2HFK E4H 0.0156 0.41613 6.36364
265 2F5X ASP 0.02009 0.41255 6.36364
266 3LST SAH 0.002454 0.41221 6.36364
267 4A4Z ANP 0.01309 0.41135 6.36364
268 1CKN GTP 0.008364 0.40494 6.36364
269 3W68 PBU 0.0314 0.40288 6.36364
270 1A59 COA 0.002102 0.40227 6.36364
271 2PYU IMP 0.01434 0.40458 6.39269
272 1DL7 NCH 0.005351 0.46844 6.42202
273 1B55 4IP 0.00372 0.40547 6.50888
274 3F81 STT 0.01144 0.43333 6.55738
275 2PFC PLM 0.001398 0.42613 6.55738
276 1NXJ TLA 0.001914 0.40971 6.55738
277 4TMK T5A 0.001317 0.41202 6.57277
278 1Y75 NAG 0.001523 0.43515 6.77966
279 3IHB TRS 0.00008586 0.61208 6.81818
280 3IHB GLU 0.0006164 0.47943 6.81818
281 4O8A 2OP 0.001812 0.47397 6.81818
282 3ZPG 5GP 0.005805 0.44832 6.81818
283 4HA6 PXM 0.004273 0.42757 6.81818
284 1MZV AMP 0.002365 0.42221 6.81818
285 1EB9 HBA 0.001999 0.42018 6.81818
286 1PFK ADP 0.001134 0.42006 6.81818
287 4LHM AZZ 0.008651 0.41419 6.81818
288 4OB6 S2T 0.002182 0.40977 6.81818
289 3W2W ATP 0.004004 0.40859 6.81818
290 1ZED PNP 0.02428 0.40457 6.81818
291 4P9Z NMI PTR 02K ASN NH2 0.01011 0.40622 6.83761
292 4LO6 SIA GAL 0.01579 0.41637 6.84211
293 1SQL GUN 0.0005335 0.49812 6.84932
294 1UAY ADN 0.003675 0.40567 7.02479
295 1RZX ACE VAL LYS GLU SER LEU VAL 0.02478 0.40639 7.14286
296 1SS4 GSH 0.003888 0.48512 7.18954
297 1SS4 CIT 0.02966 0.42469 7.18954
298 2VDJ HSE 0.001726 0.46636 7.27273
299 3TFC PEP 0.002176 0.43439 7.27273
300 3PGU OLA 0.00709 0.42444 7.27273
301 1O68 KIV 0.004115 0.42272 7.27273
302 2ZJF BSU 0.002406 0.42191 7.27273
303 1Z45 GAL 0.004375 0.42159 7.27273
304 1DXY COI 0.01949 0.42152 7.27273
305 1NML CIT 0.005697 0.41675 7.27273
306 4KCF FMN 0.001406 0.41668 7.27273
307 2OI2 DP6 0.002942 0.41373 7.27273
308 2J5S KTA 0.00136 0.40875 7.27273
309 1PEA ACM 0.02772 0.40746 7.27273
310 2Q1A 2KT 0.029 0.40164 7.27273
311 1W7J ADP BEF 0.000909 0.41904 7.28477
312 2AZ3 CDP 0.004498 0.42108 7.31707
313 3EW2 BTN 0.003638 0.41972 7.40741
314 1BTN I3P 0.01136 0.45224 7.54717
315 3GM5 CIT 0.01179 0.4136 7.54717
316 3RK0 AMP 0.001056 0.43081 7.59494
317 2XI7 XI7 0.01718 0.44018 7.6087
318 1ZS6 ADP 0.001023 0.44221 7.69231
319 3H22 B53 0.0005911 0.44602 7.72727
320 3O7B SAH 0.000434 0.42576 7.72727
321 2ZYF AKG 0.003617 0.41982 7.72727
322 4KCT FDP 0.002455 0.41675 7.72727
323 1E4E ADP 0.001763 0.40489 7.72727
324 3I51 45C 0.006191 0.40131 7.72727
325 2ZWS PLM 0.000452 0.52808 8.18182
326 1RZM E4P 0.002744 0.44908 8.18182
327 1RZM PEP 0.001371 0.44283 8.18182
328 2V5E SCR 0.01781 0.43092 8.18182
329 1T10 F6P 0.004615 0.42611 8.18182
330 3P7I P7I 0.003866 0.42386 8.18182
331 3FIU POP 0.02772 0.40226 8.18182
332 1UBY DMA 0.002742 0.40214 8.18182
333 1QD0 RR6 0.002763 0.41477 8.59375
334 1H16 PYR 0.002332 0.46 8.63636
335 1Y9Q MED 0.001309 0.45676 8.63636
336 1GVF PGH 0.001673 0.4392 8.63636
337 3QV9 QV7 0.002471 0.43795 8.63636
338 3IB8 AMP 0.0009706 0.42723 8.63636
339 4PTZ FMN 0.001316 0.41337 8.90052
340 1AJ8 CIT 0.03245 0.40023 9.09091
341 1EPB REA 0.01303 0.40021 9.14634
342 1WHT BZS 0.001556 0.45336 9.15033
343 2GJ3 FAD 0.001096 0.40045 9.16667
344 1NU4 MLA 0.01018 0.45288 9.27835
345 1T0S BML 0.004903 0.44429 9.30233
346 3RGG AIR 0.005811 0.40675 9.43396
347 1H8G CHT 0.02679 0.42935 9.47368
348 3BP1 GUN 0.0001261 0.52067 9.54545
349 3ZGE ASP 0.001166 0.47465 9.54545
350 2I4O ATP 0.0004428 0.45098 9.54545
351 3CEV ARG 0.002724 0.42485 9.54545
352 1FP2 SAH 0.001372 0.42162 9.54545
353 1X8X TYR 0.004412 0.41149 9.54545
354 3A2Q ACA ACA 0.001499 0.41138 9.54545
355 2BES RES 0.01727 0.40159 9.54545
356 1G8S MET 0.001401 0.45543 10
357 3WCS MAN NAG 0.001837 0.43749 10
358 3WCS MAN NAG GAL 0.003394 0.416 10
359 1HQL GLA MBG 0.01422 0.41554 10
360 2OHV NHL 0.004696 0.41519 10
361 1FWE HAE 0.005156 0.41353 10
362 3LM9 ADP 0.004376 0.4071 10
363 1V7R CIT 0.03434 0.41563 10.2151
364 2UYQ SAM 0.01096 0.42663 10.4545
365 3I8P 840 0.001159 0.41971 10.4545
366 4HZO COA 0.005457 0.41754 10.4545
367 1XIU REA 0.001112 0.41595 10.4545
368 4BG1 IVL 0.0006494 0.41151 10.4545
369 4BG1 OGA 0.0006494 0.41151 10.4545
370 3M6W SAM 0.003076 0.40436 10.4545
371 4LFL TG6 0.005571 0.40747 10.4938
372 2E1A MSE 0.002364 0.42737 10.6667
373 1FHX 4IP 0.02586 0.4047 10.8527
374 3MTW M3R 0.002144 0.41004 10.9091
375 3QDT A2G GAL 0.0001338 0.52037 11.1888
376 3QDY A2G GAL 0.0004643 0.4941 11.1888
377 3QDV A2G 0.0009133 0.48906 11.1888
378 3QDW A2G 0.001807 0.47403 11.1888
379 3QDW NDG 0.001298 0.46429 11.1888
380 3QDV NDG 0.003454 0.44439 11.1888
381 3QDY CBS 0.0136 0.41645 11.1888
382 4K7O EKZ 0.001427 0.46238 11.3095
383 3E5P PPI 0.01442 0.44226 11.3636
384 1YOE RIB 0.001394 0.43673 11.3636
385 2W3L DRO 0.0199 0.42106 11.3636
386 4CIB 7UZ 0.01239 0.40736 11.3636
387 2PR5 FMN 0.001558 0.40673 11.3636
388 2AF6 BRU 0.02704 0.40509 11.3636
389 3BHO B4P 0.01486 0.43512 11.5385
390 3GF2 SAL 0.03637 0.40164 11.6438
391 2FOI JPA 0.005256 0.40847 11.6667
392 3TKA CTN 0.004061 0.47966 11.8182
393 2IZ1 ATR 0.002602 0.44329 11.8182
394 1ZUW DGL 0.001451 0.43602 11.8182
395 2JC9 ADN 0.005255 0.41823 11.8182
396 3RF4 FUN 0.003145 0.42764 12.069
397 3W8S GSH 0.01436 0.40455 12.1359
398 1OGD RIP 0.001827 0.43759 12.2137
399 4IHQ ADP 0.002744 0.42472 12.2727
400 1IXE CIT 0.02067 0.40883 12.2727
401 1SC3 MLI 0.02858 0.40681 12.5
402 1WRA PC 0.001043 0.46875 12.7273
403 2FYU FDN 0.002174 0.40176 12.7273
404 2YDW WSH 0.004743 0.41024 13.0719
405 1P9B HDA 0.001184 0.45186 13.1818
406 1KC7 PPR 0.002149 0.45405 13.6364
407 1YQT ADP 0.01814 0.41453 13.6364
408 1Q3P GLU ALA GLN THR ARG LEU 0.002906 0.4237 13.7615
409 1N9L FMN 0.002113 0.40219 13.7615
410 2WCV FUC 0.003186 0.42207 14.2857
411 2PP3 LGT 0.0006066 0.43483 15
412 1JAC AMG 0.01356 0.43723 15.0376
413 4AF5 CIT 0.002924 0.441 15.2632
414 4CS9 AMP 0.003293 0.45468 15.3439
415 3SJ0 DXC 0.00436 0.43966 15.493
416 3SCH TB6 0.0005225 0.47475 15.6566
417 1ZZ7 S0H 0.0055 0.4174 15.6566
418 2YLD CMO 0.001413 0.45526 15.748
419 4LXH C1E 0.0007148 0.42271 15.9091
420 4K6B GLU 0.03063 0.40085 16.1491
421 4FGC PQ0 0.000065 0.54261 16.3636
422 3L6R MLI 0.01431 0.41542 16.3636
423 2QLX RM4 0.003392 0.44477 16.6667
424 4AIG FLX 0.006318 0.40531 16.8182
425 1LNX URI 0.009646 0.40709 17.284
426 2GWD GLU 0.005725 0.41167 17.7273
427 4BI7 PGA 0.001416 0.43645 18.6364
428 1Q11 TYE 0.003581 0.42527 19.0909
429 4F4S EFO 0.01236 0.40252 19.7368
430 1GJW MAL 0.005417 0.40795 20
431 1GJW GLC 0.02637 0.40287 20
432 2QCX PF1 0.003193 0.43309 20.4545
433 2CW6 3HG 0.0452 0.40273 20.4545
434 2D5X L35 0.01814 0.40009 21.9178
435 4UAL 3FV 0.001159 0.41532 22.7273
436 2Y0I AKG 0.008775 0.41392 23.8095
437 1H2M OGA 0.001488 0.45425 26.9231
438 1B74 DGN 0.003563 0.45104 27.2727
439 1GPJ CIT 0.0008862 0.4644 34.0909
440 1H2K OGA 0.001387 0.45563 34.1463
441 1UW1 ADP 0.001786 0.44409 36.25
Pocket No.: 2; Query (leader) PDB : 1WUR; Ligand: 8DG; 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: 1wur.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1WUR; Ligand: 8DG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1wur.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1WUR; Ligand: 8DG; 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: 1wur.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1WUR; Ligand: 8DG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1wur.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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