Receptor
PDB id Resolution Class Description Source Keywords
1GVF 1.45 Å EC: 4.1.2.40 STRUCTURE OF TAGATOSE-1,6-BISPHOSPHATE ALDOLASE ESCHERICHIA COLI LYASE ZINC.
Ref.: STRUCTURE OF TAGATOSE-1,6-BISPHOSPHATE ALDOLASE; INSIGHT INTO CHIRAL DISCRIMINATION, MECHANISM AND SPECIFICITY OF CLASS II ALDOLASES J.BIOL.CHEM. V. 277 22018 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1289;
A:1290;
A:1291;
A:1292;
A:1293;
A:1294;
B:1288;
B:1289;
B:1290;
B:1291;
B:1292;
B:1293;
B:1294;
B:1295;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
NA A:289;
B:289;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
PGH A:287;
B:287;
 Valid;
Valid;
 none;
none;
 submit data
171.046 C2 H6 N O6 P C(C(=...
ZN A:288;
B:288;
 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
1GVF 1.45 Å EC: 4.1.2.40 STRUCTURE OF TAGATOSE-1,6-BISPHOSPHATE ALDOLASE ESCHERICHIA COLI LYASE ZINC.
Ref.: STRUCTURE OF TAGATOSE-1,6-BISPHOSPHATE ALDOLASE; INSIGHT INTO CHIRAL DISCRIMINATION, MECHANISM AND SPECIFICITY OF CLASS II ALDOLASES J.BIOL.CHEM. V. 277 22018 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GVF - PGH C2 H6 N O6 P C(C(=O)NO)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GVF - PGH C2 H6 N O6 P C(C(=O)NO)....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4TO8 ic50 = 56.9 mM FLC C6 H5 O7 C(C(=O)[O-....
2 2ISW Ki = 37 nM PGH C2 H6 N O6 P C(C(=O)NO)....
3 3GAY Kd = 20 nM P6T C6 H14 O12 P2 C([C@H]([C....
4 3OHI Ki = 14 uM HDX C8 H13 N O9 P2 C1=CN(C(=O....
5 3GB6 - P6F C6 H14 O12 P2 C([C@H]([C....
6 2ISV Ki = 37 nM PGH C2 H6 N O6 P C(C(=O)NO)....
7 3C52 - PGH C2 H6 N O6 P C(C(=O)NO)....
8 3N9S Ki = 0.07 uM TD4 C6 H15 N O10 P2 C(CCOP(=O)....
9 3C56 Ki = 0.013 uM PH4 C5 H13 N O10 P2 C(CN(C(=O)....
10 1GVF - PGH C2 H6 N O6 P C(C(=O)NO)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PGH; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 PGH 1 1
2 PGA 0.482759 0.651163
3 PAH 0.433333 0.844444
4 13P 0.424242 0.622222
5 HPV 0.424242 0.636364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GVF; Ligand: PGH; Similar sites found: 486
This union binding pocket(no: 1) in the query (biounit: 1gvf.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F8L GAL 0.0001667 0.52548 None
2 2YPI PGA 0.0002101 0.46599 None
3 2WCV FUC 0.0005451 0.41523 None
4 1V2G OCA 0.002898 0.41455 None
5 1XE7 GUN 0.01165 0.41201 None
6 3KJQ B94 0.0003528 0.41189 None
7 1Y7P RIP 0.004348 0.41096 None
8 3LTW HLZ 0.002497 0.42109 0.714286
9 1C4U IH1 0.009999 0.40211 1.1583
10 3PJU C2E 0.004756 0.42639 1.20482
11 1UJ5 5RP 0.0001737 0.42445 1.32159
12 2OZE AGS 0.0007124 0.4487 1.3986
13 3I7S PYR 0.005334 0.42052 1.3986
14 4TMK T5A 0.00459 0.43382 1.40845
15 3VPD ANP 0.003884 0.422 1.42349
16 3VHZ SOG 0.03323 0.41739 1.52672
17 3VHZ L2P GLC MAN SGA 0.03761 0.41739 1.52672
18 1G6H ADP 0.008566 0.41027 1.55642
19 2FMD MAN MAN 0.001657 0.43558 1.66667
20 3KYF 5GP 5GP 0.0006712 0.41462 1.7316
21 2HGS ADP 0.0004559 0.46298 1.74825
22 3UDG TMP 0.002081 0.44768 1.74825
23 4R33 TRP 0.005019 0.43333 1.74825
24 4R33 SAH 0.005019 0.43333 1.74825
25 3CEV ARG 0.001063 0.41284 1.74825
26 3QF7 ANP 0.03031 0.41041 1.74825
27 1W55 C 0.04219 0.40445 1.74825
28 3VCA PRO 0.004465 0.40171 1.74825
29 2C4I BTN 0.003169 0.41767 1.84502
30 3P0K FAD 0.002159 0.43453 1.8797
31 1JCM 137 0.001789 0.45681 1.9305
32 1SS4 GSH 0.000581 0.49861 1.96078
33 1SS4 CIT 0.02953 0.4274 1.96078
34 1C3V PDC 0.001201 0.42761 2.04082
35 1XNK XS2 0.002262 0.42365 2.04082
36 1T3D CYS 0.0001291 0.4842 2.0979
37 1RYI GOA 0.00227 0.4682 2.0979
38 3Q9T FAY 0.001264 0.46587 2.0979
39 3QV9 QV7 0.0001794 0.46101 2.0979
40 2Q8H TF4 0.001846 0.45015 2.0979
41 2PTZ PAH 0.001061 0.43706 2.0979
42 1A5Z OXM 0.002559 0.43507 2.0979
43 2FFC U5P 0.007045 0.42866 2.0979
44 2HW1 FRU 0.001639 0.42214 2.0979
45 2Z6I FMN 0.000172 0.40559 2.0979
46 1FBL HTA 0.001242 0.40336 2.0979
47 2J8Z NAP 0.02032 0.40171 2.0979
48 1QZZ SAM 0.0005572 0.4017 2.0979
49 3SHR CMP 0.001363 0.40126 2.0979
50 4C1K PEP 0.0002757 0.44621 2.29008
51 1NN5 ANP 0.001183 0.45695 2.32558
52 1NN5 2DT 0.001183 0.45695 2.32558
53 4BI7 PGA 0.0003093 0.48152 2.33463
54 4BT5 23B 0.0008543 0.43018 2.33463
55 4IXW IXW 0.000755 0.4184 2.3622
56 3KJI ADP 0.003562 0.4156 2.3622
57 1UZN NAP 0.008359 0.40045 2.42915
58 2V7T SAH 0.002525 0.48407 2.44755
59 3FPZ AHZ 0.002124 0.48334 2.44755
60 3CTY FAD 0.01063 0.44931 2.44755
61 4AF0 IMP 0.004573 0.44371 2.44755
62 2YK7 CSF 0.001142 0.4423 2.44755
63 2BRY FAD 0.009694 0.44052 2.44755
64 3V1U NAD 0.003106 0.43283 2.44755
65 2RCN GDP 0.0002223 0.42879 2.44755
66 2J0W ADP 0.002184 0.42647 2.44755
67 2E5V FAD 0.02836 0.4264 2.44755
68 4NES UD1 0.00412 0.41716 2.44755
69 4F06 PHB 0.01327 0.41642 2.44755
70 1M1B SPV 0.002332 0.41595 2.44755
71 3TXO 07U 0.003525 0.41352 2.44755
72 4NES UDP 0.004831 0.4123 2.44755
73 3UH0 TSB 0.007963 0.41223 2.44755
74 1EDO NAP 0.003213 0.46978 2.45902
75 1AX2 NDG GAL 0.001379 0.41893 2.51046
76 4LXH C1E 0.000119 0.40142 2.52708
77 1O68 KIV 0.00116 0.42186 2.54545
78 3CBG 4FE 0.002991 0.44934 2.58621
79 3CBG FER 0.009237 0.41683 2.58621
80 3DCM SAM 0.0002745 0.46807 2.60417
81 3VC3 C6P 0.007037 0.43875 2.61628
82 3TAO PGH 0.0005163 0.47366 2.62172
83 2GDZ NAD 0.0008876 0.46238 2.62172
84 1UQX MMA 0.002453 0.43561 2.65487
85 2XBP ATP 0.009632 0.4331 2.65487
86 2BOI MFU 0.003839 0.40156 2.65487
87 3RKR NAP 0.0008609 0.40818 2.67176
88 3DUW SAH 0.02229 0.40483 2.69058
89 2QCD U5P 0.002169 0.45668 2.69231
90 2PWY SAH 0.01371 0.4206 2.71318
91 1XTP SAI 0.02222 0.40317 2.75591
92 1TDF NAP 0.0007612 0.50115 2.7972
93 1TDF FAD 0.0003438 0.50016 2.7972
94 1OFH ADP 0.0009283 0.45529 2.7972
95 4CIB 7UZ 0.0002974 0.45213 2.7972
96 1T26 GBD 0.01668 0.4454 2.7972
97 1T26 NAI 0.01668 0.4454 2.7972
98 3GTD MLI 0.000553 0.44123 2.7972
99 1YY5 FAD 0.01901 0.43529 2.7972
100 4GYW UDP 0.00502 0.43211 2.7972
101 4O1M NAD 0.00588 0.42655 2.7972
102 4IOK XPO 0.004005 0.42491 2.7972
103 1Q3Q ANP 0.02414 0.42151 2.7972
104 4IOK ADP 0.00652 0.42048 2.7972
105 1IYE PGU 0.009052 0.4196 2.7972
106 4WVH ASP HIS ASP ALA HIS ALA 0.0007511 0.41868 2.7972
107 3K3G MMU 0.002048 0.41517 2.7972
108 2WQP WQP 0.008963 0.41452 2.7972
109 2A42 ATP 0.02056 0.40663 2.7972
110 2A40 ATP 0.02261 0.40451 2.7972
111 2PLK P3D 0.02602 0.40299 2.7972
112 2V52 ATP 0.02751 0.40173 2.7972
113 4HZO COA 0.003936 0.40114 2.7972
114 4COQ SAN 0.006141 0.40465 2.83401
115 2FPU HSO 0.0005065 0.4095 2.84091
116 1NF8 ISC 0.0009259 0.4033 2.89855
117 4PO2 ASN ARG LEU LEU LEU THR GLY 0.002476 0.43202 2.97872
118 3BL6 FMC 0.003619 0.41949 3.04348
119 2VMD MBG 0.006614 0.42375 3.11284
120 1HFA PIO 0.000006005 0.64496 3.14685
121 3ZY6 GFB 0.0008227 0.45025 3.14685
122 3A8U PLP 0.001783 0.44152 3.14685
123 2Q1A 2KT 0.001368 0.43208 3.14685
124 3C1O NAP 0.005135 0.42193 3.14685
125 3GFZ C2E 0.01641 0.41803 3.14685
126 3LAD FAD 0.03853 0.4165 3.14685
127 2R00 OEG 0.004686 0.41603 3.14685
128 2WMO GTP 0.0002272 0.41082 3.14685
129 1LDN NAD 0.04062 0.40468 3.14685
130 1DXY COI 0.01921 0.4016 3.14685
131 2CW6 3HG 0.02056 0.40018 3.14685
132 1NP0 NGT 0.005596 0.40635 3.15789
133 3GEG NAD 0.001155 0.45442 3.23887
134 3PY5 AMP 0.00189 0.42684 3.28467
135 1T8U UAP SGN IDS SGN 0.008751 0.42807 3.30882
136 1T8U A3P 0.005281 0.41459 3.30882
137 3I51 45C 0.0004732 0.41235 3.33333
138 1AG9 FMN 0.01182 0.41719 3.42857
139 3HY3 10F 0.004647 0.42217 3.44828
140 1JJ7 ADP 0.01065 0.40507 3.46154
141 2G30 ALA ALA PHE 0.001053 0.42347 3.48837
142 1UXG FUM 0.0005859 0.48088 3.4965
143 1UXG NAD 0.0005859 0.48088 3.4965
144 2XVE FAD 0.002702 0.46935 3.4965
145 1GSA ADP 0.001759 0.46847 3.4965
146 1NML CIT 0.0001524 0.45625 3.4965
147 1GSA GSH 0.002621 0.4548 3.4965
148 1NVU GTP 0.006476 0.44707 3.4965
149 4WBD ADP 0.0009937 0.44548 3.4965
150 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.007643 0.43272 3.4965
151 3SQG COM 0.007556 0.42924 3.4965
152 4LNL PLG 0.001526 0.42825 3.4965
153 3F8D FAD 0.04674 0.42797 3.4965
154 4WBD CIT 0.003929 0.42658 3.4965
155 4DQ2 BTX 0.006531 0.42323 3.4965
156 4LNL 2BK 0.002464 0.42213 3.4965
157 4LNL 2BO 0.002464 0.42213 3.4965
158 4IVG ANP 0.02005 0.42109 3.4965
159 2Q3M MLA 0.008498 0.41856 3.4965
160 3P3N AKG 0.003051 0.41743 3.4965
161 1H2M OGA 0.003528 0.41478 3.4965
162 1H2K OGA 0.00382 0.41333 3.4965
163 2Y0I AKG 0.003708 0.40779 3.4965
164 2WKV COA 0.04676 0.40349 3.4965
165 1RP0 AHZ 0.03689 0.40805 3.52113
166 1Q6O LG6 0.01515 0.40787 3.7037
167 1NZY BCA 0.002707 0.43843 3.71747
168 3EWA ANP 0.02524 0.40294 3.72671
169 1BTN I3P 0.01018 0.43069 3.77358
170 1A69 FMB 0.01032 0.44169 3.78151
171 1P9P SAH 0.002113 0.43492 3.83142
172 1P9B HDA 0.00005984 0.48029 3.84615
173 1V59 FAD 0.01121 0.44889 3.84615
174 2J7T 274 0.005723 0.42573 3.84615
175 2EFJ SAH 0.002338 0.42526 3.84615
176 3ZTV ADN 0.002472 0.41977 3.84615
177 2ZIF SAM 0.01174 0.41915 3.84615
178 3OIX FMN 0.01729 0.41535 3.84615
179 4HVK PMP 0.002885 0.40933 3.84615
180 1Y42 TYR 0.002702 0.40752 3.84615
181 2NLI FMN 0.04115 0.40641 3.84615
182 2NLI LAC 0.04115 0.40641 3.84615
183 1RM4 NDP 0.0351 0.40458 3.84615
184 1TPY SAH 0.02619 0.40441 3.84615
185 3H22 B53 0.007045 0.40133 3.84615
186 4JWX 1N4 0.01189 0.40134 3.92857
187 2H6B 3C4 0.002687 0.46498 4
188 2XRH NIO 0.0104 0.40086 4
189 3ZH4 FLC 0.002089 0.43752 4.05728
190 2BZ1 TAU 0.00879 0.43513 4.08163
191 2FLI DX5 0.002127 0.45903 4.09091
192 3UEC ALA ARG TPO LYS 0.001786 0.43436 4.10959
193 1ME8 RVP 0.002087 0.47996 4.1958
194 1I0Z OXM 0.0006776 0.47087 4.1958
195 2DKH FAD 0.000749 0.46982 4.1958
196 2W1A TSA 0.0002684 0.45311 4.1958
197 1O9U ADZ 0.001931 0.44923 4.1958
198 2DKH 3HB 0.005231 0.43917 4.1958
199 2AEB ABH 0.00403 0.43815 4.1958
200 1GJW GLC 0.00196 0.4326 4.1958
201 3B4Y F42 0.01141 0.42317 4.1958
202 2PT9 S4M 0.005424 0.42245 4.1958
203 2I4O ATP 0.002156 0.4171 4.1958
204 2F2U M77 0.0005826 0.41354 4.1958
205 2PT9 2MH 0.01522 0.41309 4.1958
206 2G36 TRP 0.001635 0.40946 4.1958
207 2QIA U20 0.004056 0.45544 4.19847
208 1H8G CHT 0.03584 0.40283 4.21053
209 1CBF SAH 0.0003294 0.40096 4.21053
210 2OFD NGA 0.003884 0.41302 4.22535
211 3S9K CIT 0.0005346 0.51204 4.23729
212 2HVK TBA 0.005397 0.40701 4.24528
213 1L1Q 9DA 0.02461 0.4026 4.30108
214 1JGS SAL 0.003931 0.4535 4.34783
215 2FWP CIT 0.001363 0.45567 4.37158
216 2FWP ICR 0.001903 0.45442 4.37158
217 1QDS PGA 0.0001996 0.46655 4.38247
218 1TRD PGH 0.000738 0.46879 4.4
219 3UIE ANP 0.0001579 0.43322 4.5
220 4BAS GNP 0.02354 0.40525 4.52261
221 2ZWS PLM 0.001409 0.47689 4.54545
222 1XHL NDP 0.0005635 0.47389 4.54545
223 4M51 BEZ 0.0006376 0.46256 4.54545
224 4RJK PYR 0.0006584 0.46192 4.54545
225 4O8A 2OP 0.00163 0.45273 4.54545
226 3AHC TPP 0.001794 0.44906 4.54545
227 4G1V FAD 0.01553 0.44738 4.54545
228 2OI2 DP6 0.0004867 0.44566 4.54545
229 2Z9V PXM 0.0003957 0.44009 4.54545
230 1GPJ CIT 0.001087 0.43627 4.54545
231 2YIV YIV 0.002408 0.43627 4.54545
232 1SOW NAD 0.004259 0.43525 4.54545
233 3NT6 FAD 0.01927 0.42958 4.54545
234 4EUE NAI 0.02018 0.42223 4.54545
235 3L24 GOA 0.01024 0.41469 4.54545
236 3TFC PEP 0.002008 0.41256 4.54545
237 3WQT ANP 0.02369 0.40511 4.54545
238 1YBH P22 0.001304 0.40198 4.54545
239 3IB8 AMP 0.007293 0.40072 4.54545
240 1H8P PC 0.01209 0.41124 4.58716
241 4P5E N6P 0.01892 0.40492 4.60526
242 4HZD COA 0.01278 0.41756 4.60993
243 2BGM MAX 0.005811 0.41964 4.67626
244 3DOO SKM 0.0132 0.40393 4.69314
245 1II5 GLU 0.0007975 0.42167 4.72103
246 2ZE3 AKG 0.003046 0.41125 4.72727
247 1ZJ6 G3D 0.00009882 0.43148 4.81283
248 3IWD M2T 0.006491 0.41413 4.83871
249 2JFV FLC 0.0001981 0.46732 4.8951
250 1GAD NAD 0.0009064 0.45738 4.8951
251 1B8U NAD 0.0005829 0.45652 4.8951
252 1B8U OAA 0.0014 0.45652 4.8951
253 1E7S NAP 0.003373 0.43971 4.8951
254 1R37 NAD 0.005372 0.43321 4.8951
255 1OMZ UD2 0.01178 0.42691 4.8951
256 3L6R MLI 0.005161 0.4142 4.8951
257 2DVZ GLU 0.0006205 0.41414 4.8951
258 2D1S SLU 0.02753 0.41266 4.8951
259 4HA6 PXM 0.002967 0.41171 4.8951
260 1OTH PAO 0.01793 0.40769 4.8951
261 2WHX ADP 0.01028 0.40734 4.8951
262 2W8Q SIN 0.008702 0.40426 4.8951
263 3DDN HPV 0.002287 0.40391 4.8951
264 1VBH PEP 0.002299 0.40314 4.8951
265 2Q37 3AL 0.0006986 0.43713 4.97238
266 2FOI JPA 0.0005055 0.41463 5
267 3SCH TB6 0.001837 0.42669 5.05051
268 3TA2 ATP 0.006527 0.42887 5.08475
269 3TA2 AKG 0.006693 0.42277 5.08475
270 1C1L GAL BGC 0.002103 0.43125 5.10949
271 3PNL ADP 0.001551 0.44058 5.21327
272 1SSQ CYS 0.03393 0.40774 5.24345
273 2YVF FAD 0.0007843 0.49406 5.24476
274 2YVF NAD 0.000814 0.49406 5.24476
275 1PEA ACM 0.0004715 0.46852 5.24476
276 1R0X ATP 0.002127 0.4498 5.24476
277 1FIQ FAD 0.003681 0.44049 5.24476
278 1PZ1 NAP 0.007939 0.43746 5.24476
279 4M5P 23W 0.002834 0.43305 5.24476
280 4AT0 FAD 0.02332 0.43273 5.24476
281 1FIQ SAL 0.006275 0.42784 5.24476
282 1FIQ MTE 0.005494 0.42784 5.24476
283 2NCD ADP 0.001204 0.42756 5.24476
284 3BS8 PMP 0.001877 0.42212 5.24476
285 3ICT FAD 0.02939 0.41855 5.24476
286 1NNS ASP 0.000561 0.41418 5.24476
287 4KCT FDP 0.0007447 0.40116 5.24476
288 3B9Z CO2 0.007593 0.40077 5.24476
289 4M5P MLA 0.02881 0.40004 5.24476
290 1VG8 GNP 0.03123 0.40469 5.31401
291 2E1A MSE 0.0008865 0.4171 5.33333
292 1H9G COA MYR 0.0007463 0.46101 5.34979
293 2DWU DGL 0.001713 0.4065 5.43478
294 3QDT A2G GAL 0.00176 0.44248 5.59441
295 3QDY A2G GAL 0.001772 0.44234 5.59441
296 3AD8 NAD 0.01176 0.43713 5.59441
297 3QDW A2G 0.003652 0.43605 5.59441
298 3CXO 1N5 0.005828 0.428 5.59441
299 2AQJ TRP 0.04422 0.42314 5.59441
300 2AQJ FAD 0.04531 0.42314 5.59441
301 3IHB TRS 0.004955 0.41987 5.59441
302 3IHG FAD 0.02475 0.41631 5.59441
303 3QDW NDG 0.007025 0.40833 5.59441
304 3CXO 3LR 0.01778 0.40425 5.59441
305 1RZM E4P 0.008938 0.40375 5.59441
306 3IHB GLU 0.009178 0.40324 5.59441
307 1QO0 BMD 0.001854 0.42653 5.61225
308 2P1M IHP 0.02632 0.40862 5.625
309 1LYX PGA 0.0002226 0.49737 5.64516
310 2D37 NAD 0.01084 0.41232 5.68182
311 2D37 FMN 0.01008 0.41232 5.68182
312 4L2I NAD 0.01626 0.43906 5.70342
313 4L2I FAD 0.01135 0.43906 5.70342
314 4DN8 BMA 0.005422 0.40692 5.76923
315 3PNA CMP 0.002436 0.40013 5.84416
316 3TKA CTN 0.002694 0.47409 5.94406
317 2GJP BGC GLC DAF GLC GLC GLC DAF 0.01302 0.45353 5.94406
318 9LDB OXM 0.004197 0.442 5.94406
319 2BLE 5GP 0.01121 0.43094 5.94406
320 4HZX G39 0.01026 0.42594 5.94406
321 1H16 PYR 0.00823 0.41192 5.94406
322 1X8X TYR 0.000704 0.41183 5.94406
323 1WRA PC 0.00749 0.40711 5.94406
324 1H16 DTL 0.01812 0.40281 5.94406
325 1UJ2 ADP 0.03257 0.40373 5.95238
326 1UJ2 C5P 0.0377 0.40035 5.95238
327 3N5O GSH 0.000758 0.44759 5.95745
328 4EFH ADP 0.02175 0.40182 6.06061
329 4JEJ 1GP 0.0001759 0.49965 6.14754
330 3GD8 BOG 0.006965 0.41523 6.27803
331 1X54 4AD 0.0004887 0.46545 6.29371
332 3O03 NAP 0.001789 0.44468 6.29371
333 1R27 MGD 0.006933 0.43052 6.29371
334 1TAD GDP 0.02029 0.41727 6.29371
335 3O03 GCO 0.004052 0.41107 6.29371
336 1LQA NDP 0.03577 0.4109 6.29371
337 1AFS NAP 0.04722 0.40001 6.29371
338 4GO7 THR 0.00126 0.40158 6.5
339 4EHU ANP 0.02483 0.40712 6.52174
340 1WHT BZS 0.0001878 0.4683 6.53595
341 4JCA CIT 0.0002576 0.50244 6.58683
342 1ZUW DGL 0.0001414 0.44626 6.61765
343 4C2G ALA ALA ALA ALA 0.0002299 0.43877 6.64336
344 4W6Z ETF 0.006881 0.42293 6.64336
345 1F76 FMN 0.01648 0.41935 6.64336
346 1PS9 FMN 0.01812 0.41274 6.64336
347 4HGP KDO 0.02986 0.40101 6.66667
348 1JAC AMG 0.0212 0.40676 6.76692
349 3OZG SSI 0.02003 0.40173 6.8
350 3RF4 FUN 0.00116 0.42186 6.89655
351 4LFL TG6 0.0004851 0.4179 6.97674
352 4B9E FAH 0.0008531 0.44838 6.99301
353 3DAG FEG 0.001528 0.44603 6.99301
354 1YOE RIB 0.0007789 0.42012 6.99301
355 4KCF AKM 0.005694 0.41842 6.99301
356 4KCF FMN 0.003673 0.41505 6.99301
357 2CKM AA7 0.02297 0.41186 6.99301
358 3HRD FAD 0.04646 0.41111 6.99301
359 2IZ1 ATR 0.005215 0.40764 6.99301
360 2WE5 ADP 0.005648 0.40522 6.99301
361 2VAR AMP 0.00143 0.40117 6.99301
362 3SJ0 DXC 0.005812 0.41194 7.04225
363 1Y2W NAG 0.004865 0.40891 7.04225
364 1Y1A GSH 0.009962 0.43883 7.10383
365 2BTM PGA 0.0002601 0.47183 7.14286
366 1KHT AMP 0.001996 0.41565 7.29167
367 1RYD GLC 0.0004714 0.45151 7.34266
368 1KPH SAH 0.01058 0.42486 7.34266
369 2P4Q FLC 0.003597 0.41442 7.34266
370 3NTY NAP 0.04409 0.41066 7.34266
371 3NTY 5P3 0.04571 0.41066 7.34266
372 1A59 CIT 0.008738 0.40418 7.34266
373 3SJH LAR 0.03607 0.40515 7.40741
374 3SJH ATP 0.02588 0.40312 7.40741
375 1C3M MAN MAN 0.0003773 0.45281 7.48299
376 4INB 1F6 0.006295 0.41141 7.53425
377 3RGG AIR 0.0002671 0.4259 7.54717
378 4ORM ORO 0.009362 0.46434 7.69231
379 2ZJ3 G6P 0.00143 0.43824 7.69231
380 4DYO SD4 0.0002946 0.43432 7.69231
381 3IL6 B83 0.003203 0.42365 7.69231
382 1ZFJ IMP 0.01309 0.41672 7.69231
383 2BGS NDP 0.04508 0.40222 7.69231
384 2FXV 5GP 0.01621 0.41681 7.73196
385 1T57 FMN 0.0002494 0.47402 7.76699
386 1HQL GLA MBG 0.0001854 0.47733 7.7821
387 1JI0 ATP 0.01097 0.40305 7.91667
388 1Y4Z PCI 0.0001926 0.42989 8
389 2YD6 FLC 0.000501 0.49231 8.01887
390 1JA9 NDP 0.009388 0.4474 8.0292
391 1JA9 PYQ 0.004793 0.42908 8.0292
392 2HGZ PBF 0.002999 0.43189 8.04196
393 3JDW ORN 0.002882 0.41935 8.04196
394 1SW0 PGA 0.0003752 0.4472 8.06452
395 3O7B SAH 0.00007606 0.40316 8.19672
396 4G10 GSH 0.003798 0.41446 8.30189
397 4K7O EKZ 0.003864 0.4197 8.33333
398 1KC7 PPR 0.001827 0.43393 8.39161
399 1YAG ATP 0.01181 0.42397 8.39161
400 4TSK NDP 0.02551 0.42037 8.39161
401 1WQ1 AF3 0.007644 0.41524 8.39161
402 3KRB NAP 0.04226 0.40145 8.39161
403 3U4C NDP 0.003066 0.43751 8.54093
404 1I9G SAM 0.001241 0.47358 8.57143
405 3MBG FAD 0.004389 0.42639 8.63309
406 1WUR 8DG 0.001673 0.4392 8.63636
407 1G8S MET 0.0001016 0.4795 8.69565
408 2YBQ SAH 0.0004376 0.45964 8.74126
409 2YBQ UP2 0.003989 0.44125 8.74126
410 1QS0 TDP 0.00393 0.41994 8.74126
411 1SC3 MLI 0.00003553 0.51964 8.98876
412 4USQ FAD 0.001403 0.45906 9.09091
413 2XK9 XK9 0.003039 0.44418 9.09091
414 2X2T GAL NGA 0.00634 0.42463 9.15033
415 1VR0 3SL 0.0003154 0.44723 9.31174
416 2EB5 OXL 0.00115 0.43524 9.3633
417 2VJJ RAM GLC GAL NAG NAG GLC 0.007509 0.44059 9.44056
418 3WCS MAN NAG 0.003977 0.40097 9.44882
419 4EWN 0VR 0.0006489 0.42105 9.48617
420 1HEX NAD 0.005587 0.42481 9.79021
421 1F74 NAY 0.002544 0.42157 9.79021
422 1T0S BML 0.006434 0.41681 9.79021
423 1PR9 NAP 0.0002089 0.49428 9.83607
424 1DQX BMP 0.01519 0.41509 10.1124
425 2Q8M AMP 0.0002212 0.42251 10.1399
426 2OWZ CIT 0.005757 0.40583 10.1399
427 3HGM ATP 0.006944 0.43263 10.2041
428 3IOI 1GW 0.007889 0.42345 10.4895
429 1M2O GNP 0.03322 0.40049 10.5263
430 3BY8 MLT 0.0009506 0.44632 10.5634
431 4JEM C5P 0.02559 0.40173 10.5882
432 2DTX BMA 0.001187 0.46823 10.6061
433 1SBZ FMN 0.00802 0.42314 10.6599
434 1YOA FMN 0.0007308 0.49184 10.6918
435 4A6F SEP 0.003815 0.44407 10.8333
436 4K91 SIN 0.007061 0.41474 10.8392
437 3F81 STT 0.008867 0.4037 10.929
438 4NAE 1GP 0.0004674 0.47283 11.0132
439 4B16 NAG 0.008811 0.4259 11.2782
440 3QH2 3NM 0.007905 0.40997 11.3122
441 1UKZ ADP 0.0245 0.41768 11.33
442 3CH5 GDP 0.0006484 0.40412 11.5385
443 1XX4 BAM 0.003015 0.44002 11.8774
444 3FGC FMN 0.00927 0.42441 11.8881
445 1QH9 LAC 0.0002867 0.46058 12.069
446 1NU4 MLA 0.000814 0.48938 12.3711
447 1UWZ THU 0.003528 0.41577 12.5
448 4AF5 CIT 0.0002786 0.4611 12.6316
449 1NX4 AKG 0.002233 0.40353 12.8205
450 2C31 TZD 0.006702 0.45623 12.9371
451 2C31 ADP 0.008067 0.45176 12.9371
452 5T0A A3P 0.005151 0.40329 12.9371
453 3MJY FMN 0.009153 0.44068 13.2867
454 2X0K PPV 0.002686 0.40432 13.2867
455 4FGC PQ0 0.0008978 0.43272 13.3333
456 2XI7 XI7 0.009812 0.43261 13.587
457 3H86 AP5 0.04689 0.40017 13.6364
458 2Q97 ATP 0.02794 0.40294 13.9535
459 1PTR PRB 0.003643 0.42082 14
460 3FS8 ACO 0.01492 0.44102 14.2857
461 1I2B NAD 0.03744 0.41111 15.3846
462 1I2B UPG 0.03744 0.41111 15.3846
463 1I2B USQ 0.03744 0.41111 15.3846
464 3R51 MMA 0.003291 0.4382 15.625
465 4Q4K FMN 0.0001277 0.52973 15.7343
466 1KBJ FMN 0.003668 0.42973 15.7343
467 1P18 7HP 0.01451 0.41932 15.8371
468 1V5F TPP 0.03318 0.44368 16.0839
469 1V5F FAD 0.03318 0.44368 16.0839
470 3CIF NAD 0.04237 0.40019 16.0839
471 3ZGE ASP 0.002137 0.43863 16.7832
472 4LWA Q13 0.0105 0.42549 17.1329
473 1I1Q TRP 0.00204 0.40336 17.1875
474 4JLS 3ZE 0.003358 0.43239 17.7632
475 2Y88 2ER 0.001229 0.49118 18.0328
476 2YLD CMO 0.001165 0.43501 18.1102
477 2Y7P SAL 0.001577 0.41665 19.2661
478 1UW1 ADP 0.001666 0.42185 20
479 1B74 DGN 0.001664 0.44359 24.0157
480 2XUM OGA 0.002718 0.41954 25
481 4UTW RFW 0.01462 0.40865 25.3275
482 2NZU BG6 0.001293 0.42002 26.1364
483 1TU3 GNP 0.03104 0.40346 27.8481
484 2FF3 ATP 0.02731 0.40027 33.3333
485 4A22 TD4 0.00000000004629 0.43261 46.1538
486 1B57 PGH 0.0000000000006198 0.91248 49.3007
Pocket No.: 2; Query (leader) PDB : 1GVF; Ligand: PGH; 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: 1gvf.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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