Receptor
PDB id Resolution Class Description Source Keywords
4Q3R 2.17 Å EC: 3.5.3.1 CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI ARGINASE IN COMPLEX INHIBITOR ABHDP SCHISTOSOMA MANSONI ARGINASE-DEACETYLASE FOLD HYDROLASE-HYDROLASE INHIBITOR COM
Ref.: CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI ARGINASE, POTENTIAL DRUG TARGET FOR THE TREATMENT OF SCHISTOS BIOCHEMISTRY V. 53 4671 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CS B:406;
D:403;
B:404;
C:406;
A:403;
C:404;
C:403;
B:405;
A:405;
A:404;
B:403;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
132.905 Cs [Cs+]
GOL A:409;
B:411;
B:410;
A:408;
C:408;
C:409;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CL B:408;
C:405;
A:406;
B:407;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
MN D:402;
B:401;
A:402;
D:401;
A:401;
C:401;
C:402;
B:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
XA2 C:407;
B:409;
A:407;
D:404;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 0.54 uM
434.142 C18 H28 B Cl2 N2 O5 [B-](...
PGE A:410;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Q3R 2.17 Å EC: 3.5.3.1 CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI ARGINASE IN COMPLEX INHIBITOR ABHDP SCHISTOSOMA MANSONI ARGINASE-DEACETYLASE FOLD HYDROLASE-HYDROLASE INHIBITOR COM
Ref.: CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI ARGINASE, POTENTIAL DRUG TARGET FOR THE TREATMENT OF SCHISTOS BIOCHEMISTRY V. 53 4671 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4Q3R Kd = 0.54 uM XA2 C18 H28 B Cl2 N2 O5 [B-](CCCC[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4Q3R Kd = 0.54 uM XA2 C18 H28 B Cl2 N2 O5 [B-](CCCC[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4Q3R Kd = 0.54 uM XA2 C18 H28 B Cl2 N2 O5 [B-](CCCC[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XA2; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 XA2 1 1
2 XA1 0.716216 0.968254
3 38I 0.65 0.897059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Q3R; Ligand: XA2; Similar sites found: 295
This union binding pocket(no: 1) in the query (biounit: 4q3r.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PNA CMP 0.005293 0.41787 None
2 3UEC ALA ARG TPO LYS 0.02164 0.41132 None
3 4C25 13P 0.0001165 0.41032 0.943396
4 3LEO GSH 0.0001289 0.40863 1.29032
5 3A1I UNU 0.008352 0.40517 1.2987
6 3MAG 3MA 0.001403 0.49472 1.30293
7 2VJJ RAM GLC GAL NAG NAG GLC 0.00251 0.41058 1.55844
8 3PC3 P1T 0.001128 0.40898 1.55844
9 1YBH P22 0.006935 0.40842 1.55844
10 3QO8 SSA 0.0044 0.40358 1.55844
11 1QR0 COA 0.00463 0.4155 1.75439
12 4WVH ASP HIS ASP ALA HIS ALA 0.003361 0.42606 1.81818
13 2PT9 2MH 0.001277 0.40508 1.86916
14 3BRE C2E 0.01281 0.41651 1.95531
15 2VDJ HSE 0.01328 0.4277 1.99336
16 1AUA BOG 0.002816 0.43465 2.02703
17 3K3G MMU 0.001098 0.4553 2.05882
18 2NZ2 ASP 0.001238 0.44994 2.07792
19 2Z9V PXM 0.01303 0.4061 2.07792
20 1JGS SAL 0.01115 0.45526 2.17391
21 3U1T MLI 0.03041 0.40422 2.26537
22 4W6Z ETF 0.02852 0.41735 2.30548
23 1UF5 CDT 0.008728 0.40439 2.31023
24 3L24 GOA 0.003736 0.46295 2.33766
25 4N02 FNR 0.0004525 0.43789 2.33766
26 1JQ5 NAD 0.005845 0.43135 2.43243
27 2BLE 5GP 0.0001161 0.4634 2.45232
28 4NAO AKG 0.01066 0.42603 2.45399
29 2ZO9 MLI 0.0005214 0.45082 2.55474
30 1QH9 LAC 0.01546 0.41275 2.58621
31 4L6H HCS 0.007777 0.42233 2.5974
32 3QV9 QV7 0.01033 0.41543 2.5974
33 3F3E LEU 0.001108 0.4107 2.5974
34 4HZX G39 0.002652 0.40072 2.5974
35 1G8S MET 0.02163 0.40601 2.6087
36 2WL9 MBD 0.0008038 0.40297 2.62295
37 4M7F BM3 0.0123 0.40717 2.65487
38 1P72 THM 0.0154 0.40296 2.69461
39 1WVC CTP 0.01293 0.40414 2.7027
40 2JFV FLC 0.02561 0.40262 2.74914
41 1V5F FAD 0.001606 0.45731 2.85714
42 1V5F TPP 0.001606 0.45731 2.85714
43 4OYA 1VE 0.001146 0.44871 2.85714
44 1E2S CSN 0.0007707 0.43633 2.85714
45 4MWV BCZ 0.0004638 0.42282 2.85714
46 4JWX 1N4 0.01801 0.40003 2.85714
47 3L6R MLI 0.01176 0.42399 2.89017
48 1FNZ A2G 0.0008698 0.40897 2.95359
49 3CQ5 PMP 0.01007 0.40625 2.98103
50 1CKM GTP 0.005729 0.41644 3.0303
51 4LO6 SIA GAL 0.00007212 0.53417 3.11688
52 1GJW GLC 0.005156 0.44105 3.11688
53 2IMP NAI 0.001437 0.43645 3.11688
54 1GPJ CIT 0.01993 0.40765 3.11688
55 4N69 SER 0.01747 0.4103 3.14685
56 1Q6O LG6 0.0008239 0.43044 3.24074
57 2FWP ICR 0.0009537 0.41035 3.27869
58 3I6B KDO 0.01647 0.40171 3.33333
59 2FOI JPA 0.008989 0.40388 3.34572
60 2Q3M MLA 0.01553 0.43105 3.37423
61 1TV5 ORO 0.0002453 0.44728 3.37662
62 1TV5 A26 0.0004696 0.41763 3.37662
63 2YYJ FAD 0.008138 0.41042 3.37662
64 2YYJ 4HP 0.008138 0.41042 3.37662
65 3I8P 840 0.004574 0.40296 3.37662
66 1TV5 N8E 0.00293 0.4023 3.37662
67 3TA2 AKG 0.0001058 0.43144 3.38983
68 1OMZ UD2 0.0008755 0.42062 3.41297
69 4Q3F TLA 0.0004938 0.48136 3.4188
70 4WX0 HXD 0.002422 0.41316 3.42205
71 1XX4 BAM 0.001126 0.45483 3.44828
72 2OWZ CIT 0.004431 0.4377 3.61446
73 1Y42 TYR 0.001057 0.45288 3.63636
74 3CXO 1N5 0.000729 0.40866 3.63636
75 2NCD ADP 0.0149 0.40834 3.63636
76 3CXO 3LR 0.0009147 0.40268 3.63636
77 1G6O ADP 0.0006372 0.40265 3.63636
78 1ZFJ IMP 0.003447 0.40102 3.63636
79 4A8H PUW 0.00002593 0.42174 3.66197
80 1C3V PDC 0.009534 0.41697 3.67347
81 4AF5 CIT 0.00481 0.43607 3.68421
82 1ZJ6 G3D 0.0009974 0.43706 3.74332
83 2WIC GNP 0.000942 0.40254 3.74532
84 1LTH NAD 0.001432 0.42094 3.76176
85 1NXJ GLV 0.0003509 0.46677 3.82514
86 1NXJ TLA 0.00237 0.41143 3.82514
87 1JCM 137 0.00008591 0.41501 3.861
88 4M5P MLA 0.006287 0.45974 3.8961
89 4PB2 5UD 0.0002113 0.44222 3.8961
90 3O2K QRP 0.005698 0.41187 3.8961
91 4M5P 23W 0.03953 0.40405 3.8961
92 2YP9 SIA CMO 0.004378 0.40172 3.8961
93 1QW9 KHP 0.0006856 0.40169 3.8961
94 9LDT OXM 0.002501 0.48125 3.91566
95 4MOB ADP 0.0006163 0.43273 3.91566
96 1XE7 GUN 0.02202 0.42319 3.94089
97 1LDM OXM 0.01043 0.40127 3.95137
98 2PNZ UDP 0.0004823 0.40629 3.97112
99 1ULE GLA GAL NAG 0.01337 0.42755 4
100 4GQB 0XU 0.00006396 0.46666 4.06977
101 1EDO NAP 0.004197 0.41498 4.09836
102 1B55 4IP 0.003135 0.41321 4.14201
103 2W8Q SIN 0.005395 0.44012 4.15584
104 1I2B NAD 0.01117 0.41913 4.15584
105 1I2B UPG 0.01117 0.41913 4.15584
106 1I2B USQ 0.01117 0.41913 4.15584
107 3TO7 COA 0.001334 0.40926 4.15584
108 2J5S KTA 0.0007883 0.42224 4.18251
109 3QDY A2G GAL 0.01048 0.43278 4.1958
110 3QDT A2G GAL 0.01371 0.42701 4.1958
111 3MD0 GDP 0.01393 0.40038 4.22535
112 1O9U ADZ 0.03485 0.41281 4.28571
113 4K30 NLG 0.003845 0.42886 4.375
114 2IZ1 ATR 0.0006726 0.47521 4.41558
115 1KTC NGA 0.003985 0.42819 4.41558
116 4WBD CIT 0.01598 0.4237 4.41558
117 4M51 BEZ 0.03005 0.41002 4.41558
118 4WBD ADP 0.03265 0.40273 4.41558
119 1YHM AHD 0.007063 0.42276 4.41989
120 2VQ5 LDP 0.008914 0.4435 4.47761
121 2VQ5 HBA 0.03217 0.40304 4.47761
122 4N7C AEF 0.02604 0.40747 4.54545
123 3PMD 11A 0.008921 0.40401 4.57516
124 4B7E OGA 0.003347 0.43714 4.58453
125 2WA4 069 0.004638 0.41098 4.58453
126 4KCF AKM 0.0003744 0.43882 4.62555
127 2X61 NGA GAL SIA 0.001417 0.42437 4.65116
128 2X61 CH 0.0009272 0.40816 4.65116
129 1OTH PAO 0.00006387 0.44311 4.6729
130 2PP3 LGT 0.00009133 0.42091 4.67532
131 3UER BTU 0.008759 0.40016 4.67532
132 3UER TUR 0.008759 0.40016 4.67532
133 1Q3Q ANP 0.00009617 0.46443 4.74453
134 3VCA PRO 0.0004714 0.47129 4.93506
135 1H16 PYR 0.01999 0.41887 4.93506
136 1YRX FMN 0.004507 0.40319 4.95868
137 2J7T 274 0.0009262 0.40252 4.96689
138 2BGM NAJ 0.001555 0.42298 5.03597
139 2Y7P SAL 0.008641 0.41377 5.04587
140 3RK0 AMP 0.002994 0.41841 5.06329
141 3FS8 ACO 0.001404 0.43912 5.12821
142 3FS8 TDR 0.002396 0.42547 5.12821
143 2FH5 GTP 0.0003865 0.42864 5.14019
144 3ZGE ASP 0.002847 0.46078 5.19481
145 4G1V FAD 0.004538 0.42516 5.19481
146 2PUL ACP 0.001831 0.41764 5.19481
147 1EJE FMN 0.000872 0.42071 5.20833
148 1LYX PGA 0.001827 0.42211 5.24194
149 2WGC SIA GAL BGC 0.03627 0.42615 5.26316
150 1WGC SIA GAL BGC 0.04204 0.41508 5.26316
151 3KJQ B94 0.008301 0.40108 5.26316
152 4CMF PXG 0.002041 0.41404 5.2795
153 1I9G SAM 0.0008966 0.42229 5.35714
154 2XDQ MGX 0.002192 0.47485 5.45455
155 4LIT AKG 0.01449 0.40889 5.45455
156 1Y1A GSH 0.0355 0.42743 5.46448
157 3E81 SLB 0.01226 0.41212 5.4878
158 2QLX RM4 0.03697 0.40012 5.55556
159 1QO0 BMD 0.01056 0.42038 5.61225
160 1Z44 NPO 0.0143 0.44914 5.6213
161 1MXI SAH 0.001984 0.40823 5.625
162 1FWE HAE 0.001257 0.44379 5.66038
163 3RGG AIR 0.005848 0.41141 5.66038
164 1O7N IND 0.0005909 0.4144 5.6701
165 3B9Z CO2 0.0001617 0.50355 5.71429
166 1LCP PLU 0.00008879 0.4284 5.71429
167 3TFC PEP 0.01737 0.40071 5.71429
168 1T3D CYS 0.005677 0.43906 5.88235
169 2O66 FLC 0.003369 0.43701 5.92593
170 4RJK PYR 0.00295 0.46001 5.97403
171 1PTR PRB 0.01709 0.41624 6
172 1GU3 BGC BGC BGC BGC BGC 0.01566 0.40266 6.04027
173 1ZZ7 S0H 0.00541 0.4225 6.06061
174 3SCH TB6 0.01247 0.41705 6.06061
175 1OGD RIP 0.004521 0.42584 6.10687
176 1EB9 HBA 0.006191 0.40607 6.10687
177 1TUV VK3 0.02902 0.41696 6.14035
178 2BOI MFU 0.0007087 0.46031 6.19469
179 1A8S PPI 0.001159 0.43708 6.22711
180 5EQU AKG 0.01454 0.42574 6.22951
181 4OE4 NAD 0.0005404 0.41197 6.23377
182 3MB5 SAM 0.0001752 0.44991 6.27451
183 3DGB MUC 0.003287 0.41682 6.28272
184 3Q3C NAD 0.004402 0.40441 6.35452
185 4B16 NAG 0.01532 0.43889 6.39098
186 2ZWS PLM 0.01268 0.4521 6.49351
187 3SQG COM 0.02129 0.43117 6.49351
188 4KGM ATP 0.00558 0.40783 6.53061
189 2C2A ADP 0.002369 0.40942 6.58915
190 1GSA GSH 0.00003122 0.46575 6.64557
191 2GJ3 FAD 0.0004009 0.41599 6.66667
192 2DVZ GLU 0.005714 0.41182 6.6879
193 1B74 DGN 0.01352 0.42731 6.69291
194 3FPZ AHZ 0.0002123 0.46625 6.74847
195 2Q28 ADP 0.002296 0.40228 6.75325
196 1X8X TYR 0.001324 0.43739 6.8323
197 1T26 GBD 0.01205 0.40904 6.8323
198 1T26 NAI 0.01205 0.40904 6.8323
199 2YIV YIV 0.009165 0.43568 7.01299
200 2YIV NBN 0.03376 0.40203 7.01299
201 4OB6 S2T 0.004964 0.40164 7.03812
202 6FIV 3TL 0.004899 0.40584 7.07965
203 3NOJ PYR 0.0007848 0.46166 7.14286
204 1I36 NAP 0.001059 0.40267 7.19697
205 3TKA CTN 0.001285 0.51698 7.20461
206 2FGQ MLT 0.001868 0.4549 7.22892
207 1Z45 GAL 0.01184 0.40789 7.27273
208 1ECM TSA 0.007863 0.41072 7.33945
209 1Q3P GLU ALA GLN THR ARG LEU 0.0119 0.40323 7.33945
210 1LNX URI 0.01013 0.4108 7.40741
211 2EB5 OXL 0.01626 0.41174 7.49064
212 2Q1A 2KT 0.001623 0.40019 7.50853
213 1FIQ MTE 0.0008337 0.40541 7.53247
214 1FIQ SAL 0.001028 0.40541 7.53247
215 1BTN I3P 0.01373 0.45553 7.54717
216 1Y7P RIP 0.04475 0.40134 7.62332
217 3S9K CIT 0.01021 0.45561 7.62712
218 1F1V DHY 0.008437 0.40945 7.73994
219 1Y2W NAG 0.02623 0.40214 7.74648
220 1OYB FMN 0.001117 0.40193 7.79221
221 2QIA U20 0.005036 0.40282 8.01527
222 1C1L GAL BGC 0.02303 0.41002 8.0292
223 4CCN OGA 0.005991 0.43169 8.05195
224 2HVK TBA 0.008898 0.4238 8.06452
225 3WUD GLC GAL 0.02259 0.41622 8.08823
226 1ML4 PAL 0.0001703 0.43847 8.11688
227 1SQ5 PAU 0.0081 0.41497 8.11688
228 3F81 STT 0.009576 0.4419 8.19672
229 3V91 UPG 0.0002991 0.42398 8.24742
230 4B9E FAH 0.01649 0.41698 8.30565
231 4JCA CIT 0.01143 0.44576 8.38323
232 2JAR UMP 0.002296 0.406 8.5
233 2BZ1 TAU 0.006687 0.46779 8.67347
234 4C2G ALA ALA ALA ALA 0.002197 0.43373 8.83117
235 5DRN 5CT 0.02227 0.42641 8.83721
236 4COQ SAN 0.01234 0.41727 8.90688
237 1JAC AMG 0.008151 0.45367 9.02256
238 3EJ0 11X 0.002577 0.43918 9.18367
239 3R51 MMA 0.01727 0.42867 9.375
240 2NT8 ATP 0.00003004 0.44822 9.41704
241 4EKV BTN 0.00004568 0.44923 9.43396
242 3EW2 BTN 0.003785 0.42392 9.62963
243 3BY8 MLT 0.008361 0.43106 9.85915
244 3SJ0 DXC 0.01101 0.42537 9.85915
245 4TMK T5A 0.006526 0.42454 9.85915
246 4IVG ANP 0.00006955 0.46341 9.87013
247 2DTJ THR 0.006747 0.40891 9.87013
248 1Z6K OAA 0.0003395 0.4582 9.89761
249 2GN2 C5P 0.003072 0.40536 9.94152
250 4NTX AMR 0.001263 0.45267 10
251 1AX2 NDG GAL 0.01522 0.40319 10.0418
252 4DN8 BMA 0.00001777 0.54744 10.2564
253 3CI3 3PO 0.00001448 0.43598 10.3093
254 3CI3 5AD 0.00001448 0.43598 10.3093
255 2ZSC BTN 0.003303 0.41234 10.6383
256 4F8L GAL 0.04387 0.42142 11.0345
257 3P7I P7I 0.002285 0.43854 11.215
258 1SC3 MLI 0.0002851 0.51006 11.236
259 4USS GSH 0.013 0.40614 11.3846
260 1QJC PNS 0.001503 0.42066 11.3924
261 2NLI LAC 0.0001903 0.4487 11.413
262 2NLI FMN 0.0001903 0.4487 11.413
263 1YOE RIB 0.00002831 0.44901 11.4907
264 3KMT SAH 0.0003941 0.44738 11.7647
265 2V5E SCR 0.0009765 0.50316 11.8812
266 5D63 FUC GLA GLA 0.0195 0.4081 11.9454
267 2E1A MSE 0.009919 0.40652 12
268 4FUA PGH 0.000194 0.41286 12.093
269 3OIG NAD 0.00126 0.42767 12.406
270 2XI7 XI7 0.000189 0.55489 13.0435
271 2YDW WSH 0.007074 0.40808 13.0719
272 4G28 0W8 0.01169 0.40355 13.4228
273 2C5S AMP 0.01147 0.40389 14.2857
274 2Y6P CTP 0.00538 0.41287 14.5299
275 1JA9 NDP 0.0006775 0.44291 14.5985
276 3H86 AP5 0.0003413 0.4425 15.1042
277 1RZM E4P 0.009126 0.42925 15.6805
278 1DXY COI 0.01104 0.43872 15.9159
279 2B7N NTM 0.01633 0.40657 16.1172
280 1WKL ADP 0.003015 0.40186 17.5182
281 3I8T LBT 0.000606 0.46322 17.6829
282 4LKK SIA GAL 0.000476 0.4299 17.8571
283 1JOT GAL A2G 0.004842 0.41472 18.0451
284 2HMT NAI 0.0004569 0.434 18.0556
285 1NVU GTP 0.000524 0.4375 18.0723
286 1NVV GNP 0.0004546 0.40706 18.0723
287 1V6A TRE 0.02043 0.40223 18.0723
288 1D09 PAL 0.01841 0.40637 18.3007
289 1NU4 MLA 0.03144 0.42971 20.6186
290 1UO5 PIH 0.01221 0.45302 23.5294
291 1UO4 PIH 0.04478 0.41358 23.5294
292 3NGU ADP 0.004967 0.40561 23.8411
293 1H2M OGA 0.01954 0.40805 25
294 1WOG 16D 0.00000004999 0.51602 29.8361
295 3KPE TM3 0.0009929 0.46747 33.3333
Pocket No.: 2; Query (leader) PDB : 4Q3R; Ligand: XA2; Similar sites found: 101
This union binding pocket(no: 2) in the query (biounit: 4q3r.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1H8P PC 0.04977 0.40469 None
2 2Q37 3AL 0.009768 0.41651 1.10497
3 3MCT 3MC 0.002425 0.43744 1.3468
4 3W54 RNB 0.002472 0.41713 1.51976
5 2GWD GLU 0.006931 0.413 1.55844
6 2CE7 ADP 0.00378 0.41012 1.55844
7 3DG6 MUC 0.006714 0.40063 1.90736
8 1PX8 XYP 0.01649 0.40639 2.07792
9 1K27 MTM 0.00007989 0.40185 2.12014
10 1KYQ NAD 0.001905 0.40884 2.18978
11 1QRD DQN 0.03355 0.40763 2.1978
12 4HZO COA 0.0126 0.40673 2.20126
13 2OHV NHL 0.006788 0.41338 2.27273
14 2BO4 FLC 0.002245 0.45822 2.33766
15 3SHR CMP 0.008514 0.40483 2.34114
16 4LTN NAI 0.0006577 0.42871 2.53807
17 4LTN FMN 0.001431 0.4136 2.53807
18 2ZJ5 ADP 0.0009813 0.46072 2.5974
19 2Q8H TF4 0.02269 0.42252 2.5974
20 2XBP ATP 0.0002456 0.44146 2.65487
21 1I0Z OXM 0.00257 0.4713 2.7027
22 1PEA ACM 0.03175 0.40883 2.85714
23 3VPQ GSH 0.006711 0.42374 2.94118
24 1JN2 SFP 0.006372 0.48403 2.95359
25 2JBH 5GP 0.001885 0.43648 3.11111
26 4KCT PYR 0.01411 0.40014 3.11688
27 4TSK NDP 0.0004449 0.44162 3.14286
28 2P4T NAP 0.0007294 0.40866 3.22581
29 1UAY ADN 0.003948 0.4094 3.30579
30 2RCN GDP 0.006547 0.40943 3.35196
31 1NF8 BOG 0.02445 0.40877 3.38164
32 1NF8 ISC 0.007248 0.40339 3.38164
33 2W3L DRO 0.0105 0.43983 3.47222
34 3NNF AKG 0.006201 0.431 3.48837
35 1MOQ GLP 0.002643 0.40387 3.53261
36 2Q8M AMP 0.008241 0.4012 3.61446
37 4L7I SAM 0.0008844 0.42479 3.63636
38 2OAT PFM 0.0038 0.40204 3.63636
39 2QV7 ADP 0.005012 0.40149 3.85757
40 4QDC ASD 0.0002908 0.40663 3.8961
41 1F5F DHT 0.002677 0.40751 3.90244
42 1LL2 UPG 0.00008757 0.44582 3.9039
43 1J2Z SOG 0.00217 0.41283 4.07407
44 4EXO PYR 0.04566 0.4009 4.10959
45 3K5X P8D 0.001162 0.43966 4.15584
46 1ZED PNP 0.01428 0.41997 4.15584
47 1I1Q TRP 0.006495 0.41418 4.16667
48 3QDY CBS 0.002243 0.45824 4.1958
49 1Y75 NAG 0.01248 0.40236 4.23729
50 2P69 PLP 0.008227 0.41982 4.24837
51 1RYD GLC 0.01228 0.41736 4.41558
52 1A59 CIT 0.0163 0.41722 4.49735
53 1A59 COA 0.001753 0.4101 4.49735
54 1KDK DHT 0.001126 0.40534 4.51977
55 3P3N AKG 0.02381 0.40408 4.58453
56 3F8C HT1 0.01424 0.40922 4.7619
57 1JH7 UVC 0.01699 0.40581 4.7619
58 1F8F NAD 0.002148 0.41661 4.85175
59 1X92 M7P 0.008249 0.40119 5.02513
60 1Q11 TYE 0.004501 0.42593 5.10753
61 3CL7 HYN 0.0005935 0.40053 5.19481
62 2Y7G AAE 0.002511 0.41258 5.31915
63 3VHZ L2P GLC MAN SGA 0.00559 0.40965 5.34351
64 1C7S CBS 0.004434 0.41174 5.45455
65 1R0X ATP 0.0003359 0.42201 5.59441
66 1A5V Y3 0.01939 0.40324 5.6962
67 3P47 CYS 0.001026 0.44745 5.71429
68 3CH5 GDP 0.001436 0.43088 5.76923
69 1JSH SIA GAL 0.0004579 0.41799 6.25
70 2HFK E4H 0.008275 0.41458 6.58307
71 1GSA ADP 0.0003016 0.44002 6.64557
72 1T10 F6P 0.008542 0.41909 6.75325
73 1OFH ADP 0.0007069 0.40129 6.89655
74 3WCS MAN NAG 0.003246 0.43201 7.08661
75 1A5Z OXM 0.01136 0.43105 7.21003
76 1A5Z FBP 0.001259 0.41117 7.21003
77 3O03 NAP 0.001743 0.42129 7.2165
78 2WK1 SAH 0.001415 0.4057 7.44681
79 2YFT DQR 0.005488 0.40003 7.79221
80 4CCO OGA 0.003554 0.43032 8.05195
81 2DWU DGL 0.005804 0.41621 8.33333
82 3ZPG 5GP 0.03421 0.41324 8.37696
83 2ZJF BSU 0.009616 0.4027 8.56354
84 5DUB GLY 5GG GLY ALA 0.04521 0.40393 8.8785
85 2CJH AKG 0.000981 0.42764 8.90869
86 2OFD NGA 0.01738 0.41041 9.15493
87 2OFE NAG 0.01752 0.41025 9.15493
88 3RF4 FUN 0.01348 0.40546 9.48276
89 1SS4 CIT 0.008422 0.48579 9.80392
90 1SS4 GSH 0.008875 0.45846 9.80392
91 4I9A NCN 0.00001467 0.43425 10.0694
92 1XMV ADP 0.0017 0.41757 10.1124
93 2QF7 COA 0.003524 0.41127 11.1688
94 2HV8 GTP 0.0008249 0.40262 12.2093
95 2BNE U5P 0.0003475 0.42224 13.278
96 1KYV RBF 0.001712 0.41449 13.8365
97 1WRA PC 0.002477 0.45619 15.2597
98 3NJQ NJQ 0.0001106 0.42087 17.6166
99 1H2K OGA 0.02012 0.40747 19.5122
100 1YGC 905 0.00183 0.40564 25.3968
101 3GM5 CIT 0.007744 0.42657 30.8176
Pocket No.: 3; Query (leader) PDB : 4Q3R; Ligand: XA2; Similar sites found: 37
This union binding pocket(no: 3) in the query (biounit: 4q3r.bio3) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2H6B 3C4 0.002685 0.4133 2
2 3ZF8 GDP 0.0111 0.40018 2.29508
3 4DYO SD4 0.01402 0.40025 2.33766
4 1WDA BAG 0.003349 0.42613 2.5974
5 1K6M AGS 0.001696 0.40309 2.5974
6 2P41 G1G 0.01009 0.40621 2.62295
7 1FX8 BOG 0.003661 0.40263 2.84698
8 1EYE PMM 0.005522 0.40801 2.85714
9 1CTU ZEB 0.002884 0.40635 3.06122
10 4QCK ASD 0.000129 0.42352 3.11688
11 1HV9 UD1 0.0001074 0.4002 3.11688
12 3VOZ 04A 0.001091 0.42152 3.1746
13 2FWP CIT 0.0007525 0.40824 3.27869
14 4AMV F6R 0.002758 0.41108 3.37662
15 2FR6 CTN 0.00214 0.40707 3.42466
16 3O2K DST 0.01474 0.40379 3.8961
17 1O68 KIV 0.01249 0.40689 4
18 4TQK NAG 0.04154 0.42396 4.15584
19 5DSC GLY 5CT GLY SER GLY 0.01672 0.41388 4.18605
20 4HA6 PXM 0.009239 0.41758 4.41558
21 3Q9T FAY 0.001209 0.41064 4.41558
22 1QZZ SAM 0.00208 0.41997 4.54545
23 3GJB AKG 0.009551 0.40721 5.01567
24 1HFA PIO 0.02849 0.42051 5.19031
25 1Z42 HBA 0.0192 0.44196 5.6213
26 3JQ3 ADP 0.009374 0.40314 5.7377
27 3AYS CT3 0.01011 0.40182 6.11702
28 1QDS PGA 0.002109 0.42926 6.3745
29 1FW1 GSH 0.004462 0.40738 6.94444
30 3GTD MLI 0.02154 0.4012 7.27273
31 4JP3 CIT 0.006711 0.4047 7.53138
32 2VAR AMP 0.003488 0.42045 7.66773
33 2VAR KDF 0.00385 0.41414 7.66773
34 1T0S BML 0.03253 0.4083 8.05195
35 3LTW HLZ 0.009146 0.42325 8.57143
36 1YOA FMN 0.03037 0.43057 11.3208
37 1NML CIT 0.01233 0.40713 12.2699
Pocket No.: 4; Query (leader) PDB : 4Q3R; Ligand: XA2; Similar sites found: 22
This union binding pocket(no: 4) in the query (biounit: 4q3r.bio4) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1H8G CHT 0.02687 0.43359 None
2 2Q09 DI6 0.01104 0.40458 1.55844
3 2F2U M77 0.01029 0.4015 2.33766
4 1V1A ADP 0.0003961 0.41384 2.589
5 4O8A 2OP 0.006928 0.44914 2.5974
6 4DQ2 BTX 0.0007745 0.4049 2.5974
7 3T2W BTN 0.005776 0.41163 3.27869
8 4UAL 3FV 0.003269 0.40439 3.63636
9 3I51 45C 0.008116 0.40146 3.7037
10 1FS5 TLA 0.0003146 0.40481 3.7594
11 2HNK SAH 0.0004007 0.42811 3.76569
12 3E5P PPI 0.01986 0.45348 3.77358
13 2YLD CMO 0.01684 0.41104 3.93701
14 1E4E ADP 0.001497 0.4125 5.53936
15 1RY2 AMP 0.0007253 0.40096 5.97403
16 1B5E DCM 0.009301 0.40769 7.31707
17 1K7U NAG NAG 0.01869 0.42925 9.13978
18 3PMA SCR 0.01637 0.40183 9.26641
19 3I0O SMI 0.009977 0.4161 10.3245
20 1RZM PEP 0.005116 0.42354 15.6805
21 3DUR KDO 0.02027 0.40239 16.9643
22 2A2X NA9 0.002936 0.40227 17.6471
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