Receptor
PDB id Resolution Class Description Source Keywords
4AF0 2.2 Å EC: 1.1.1.205 CRYSTAL STRUCTURE OF CRYPTOCOCCAL INOSINE MONOPHOSPHATE DEHYDROGENASE CRYPTOCOCCUS NEOFORMANS OXIDOREDUCTASE GTP BIOSYNTHESIS DRUG RESISTANCE
Ref.: DE NOVO GTP BIOSYNTHESIS IS CRITICAL FOR VIRULENCE FUNGAL PATHOGEN CRYPTOCOCCUS NEOFORMANS PLOS PATHOG. V. 8 2957 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMP A:1527;
B:1527;
Valid;
Valid;
none;
none;
submit data
348.206 C10 H13 N4 O8 P c1nc2...
MOA A:1526;
B:1526;
Valid;
Valid;
none;
none;
Ki = 198 nM
320.337 C17 H20 O6 Cc1c2...
SO4 B:1528;
B:1529;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AF0 2.2 Å EC: 1.1.1.205 CRYSTAL STRUCTURE OF CRYPTOCOCCAL INOSINE MONOPHOSPHATE DEHYDROGENASE CRYPTOCOCCUS NEOFORMANS OXIDOREDUCTASE GTP BIOSYNTHESIS DRUG RESISTANCE
Ref.: DE NOVO GTP BIOSYNTHESIS IS CRITICAL FOR VIRULENCE FUNGAL PATHOGEN CRYPTOCOCCUS NEOFORMANS PLOS PATHOG. V. 8 2957 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4AF0 Ki = 198 nM MOA C17 H20 O6 Cc1c2c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4AF0 Ki = 198 nM MOA C17 H20 O6 Cc1c2c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4AF0 Ki = 198 nM MOA C17 H20 O6 Cc1c2c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IMP; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 IMP 1 1
2 IDP 0.824324 0.986111
3 NOS 0.724638 0.835616
4 5GP 0.609756 0.972603
5 G 0.609756 0.972603
6 DI 0.578313 0.92
7 SIB 0.549451 0.772152
8 93A 0.523256 0.841463
9 GDP 0.505495 0.959459
10 GP3 0.494505 0.934211
11 C2R 0.493827 0.891892
12 GTP 0.489362 0.959459
13 GP2 0.48913 0.922078
14 GNH 0.483871 0.946667
15 G2P 0.479167 0.922078
16 AMZ 0.47561 0.90411
17 SNI 0.475 0.8
18 GMV 0.473684 0.934211
19 GAV 0.469388 0.922078
20 G1R 0.46875 0.946667
21 GCP 0.46875 0.934211
22 AIR 0.468354 0.888889
23 NIA 0.464286 0.835443
24 GNP 0.463918 0.934211
25 GSP 0.463918 0.910256
26 GDP MG 0.463158 0.909091
27 A 0.458824 0.90411
28 1RB 0.458824 0.847222
29 AMP 0.458824 0.90411
30 ALF 5GP 0.458333 0.875
31 GDP BEF 0.458333 0.886076
32 6SW 0.456522 0.930556
33 RBZ 0.453488 0.837838
34 GPG 0.45098 0.922078
35 7RP 0.448276 0.888889
36 GDC 0.447619 0.922078
37 GDD 0.447619 0.922078
38 GKE 0.447619 0.922078
39 GTP MG 0.444444 0.909091
40 BEF GDP 0.444444 0.875
41 7RA 0.443182 0.891892
42 IMO 0.443182 0.890411
43 JLN 0.443182 0.90411
44 AAM 0.443182 0.90411
45 P2P 0.443182 0.864865
46 RMB 0.443182 0.835616
47 FAI 0.443182 0.90411
48 G2R 0.441176 0.922078
49 GCP G 0.44 0.921053
50 G7M 0.43956 0.934211
51 XMP 0.438202 0.932432
52 IRN 0.435897 0.830986
53 Y9Z 0.433962 0.865854
54 PMO 0.433333 0.813333
55 71V 0.433333 0.825
56 GDP AF3 0.431373 0.875
57 GDP ALF 0.431373 0.875
58 GKD 0.431193 0.922078
59 JB2 0.431193 0.922078
60 GFB 0.429907 0.922078
61 GDR 0.429907 0.922078
62 6CK 0.425926 0.898734
63 G3A 0.425926 0.934211
64 YGP 0.424528 0.8875
65 G5P 0.422018 0.934211
66 PGS 0.419355 0.825
67 G G 0.419048 0.921053
68 RVP 0.416667 0.837838
69 GTG 0.416667 0.898734
70 GDX 0.414414 0.934211
71 GUO 0.41 0.931507
72 GMP 0.406977 0.84
73 U2G 0.405172 0.898734
74 2SA 0.40404 0.894737
75 6C6 0.402062 0.846154
76 GPD 0.401786 0.8875
Ligand no: 2; Ligand: MOA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MOA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AF0; Ligand: IMP; Similar sites found: 540
This union binding pocket(no: 1) in the query (biounit: 4af0.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.001438 0.48544 None
2 1UO4 PIH 0.008057 0.47681 None
3 4RJK PYR 0.04147 0.42349 1.25899
4 2ZJ5 ADP 0.02487 0.41964 1.25899
5 4RJK TPP 0.001411 0.41162 1.25899
6 4ISS TAR 0.02766 0.40019 1.25899
7 4DN8 BMA 0.005178 0.4581 1.28205
8 3CV2 OXL 0.006414 0.42767 1.31579
9 3DG6 MUC 0.003539 0.43526 1.3624
10 1P7T PYR 0.003296 0.43504 1.43885
11 1D8C GLV 0.002481 0.4166 1.43885
12 1DAR GDP 0.02058 0.40165 1.43885
13 3VCA PRO 0.002858 0.46158 1.45631
14 2IMP NAI 0.00007651 0.41967 1.46138
15 1GPJ CIT 0.0157 0.43435 1.48515
16 2HSA FMN 0.0009148 0.40041 1.49254
17 2EB5 OXL 0.0006225 0.50331 1.49813
18 2AG8 NAP 0.005057 0.41086 1.52091
19 4GZP G39 0.0002258 0.4051 1.52672
20 4FRZ ADP 0.0258 0.40609 1.5544
21 3QV9 QV7 0.01423 0.43128 1.60321
22 3OYZ ACO 0.0003589 0.40608 1.61663
23 2O2C G6Q 0.002792 0.43527 1.61871
24 4PNI KQQ 0.002745 0.41094 1.61871
25 2Q28 ADP 0.009237 0.40432 1.61871
26 2YYJ FAD 0.000009066 0.44412 1.6632
27 2YYJ 4HP 0.000009066 0.44412 1.6632
28 3TKA CTN 0.01008 0.49143 1.72911
29 2GN2 C5P 0.0001261 0.48401 1.75439
30 3I0O SMI 0.003693 0.45924 1.76991
31 2ZWS PLM 0.001631 0.52745 1.79856
32 2YIV YIV 0.01361 0.44928 1.79856
33 2YIV NBN 0.01915 0.43548 1.79856
34 1JQN DCO 0.01552 0.40383 1.79856
35 2QF7 COA 0.02104 0.40317 1.79856
36 1VCO GLN 0.0002308 0.44029 1.81818
37 4CMF PXG 0.0000001509 0.46039 1.86335
38 2Q3R FMN 0.001817 0.42733 1.88172
39 3NKT 1HN 0.000817 0.42234 1.90217
40 3OCZ SRA 0.008832 0.41159 1.9084
41 4KCF AKM 0.000002307 0.43374 1.98238
42 2JAR UMP 0.01156 0.40375 2
43 4C2G ALA ALA ALA ALA 0.00198 0.46049 2.01794
44 1N6B DMZ 0.000001669 0.4673 2.11416
45 4IHQ ADP 0.002996 0.45243 2.14425
46 3NOJ PYR 0.02438 0.4015 2.15827
47 3COB ADP 0.02917 0.40503 2.16802
48 1T26 GBD 0.00001897 0.44291 2.17391
49 1T26 NAI 0.00001897 0.44291 2.17391
50 4EYG VNL 0.01493 0.40464 2.17391
51 1KYQ NAD 0.001216 0.44125 2.18978
52 1PX8 XYP 0.02767 0.41741 2.2
53 1YHM AHD 0.01385 0.43184 2.20994
54 1E5F PLP 0.005504 0.4234 2.22772
55 1GOJ ADP 0.02192 0.41404 2.25352
56 1SQ5 PAU 0.008399 0.4371 2.27273
57 1SQ5 ADP 0.008111 0.42433 2.27273
58 3ITA AIC 0.01686 0.41157 2.27273
59 2R42 FPS 0.006942 0.40237 2.27848
60 2J5S KTA 0.007262 0.41151 2.28137
61 3P3N AKG 0.0158 0.43421 2.29226
62 2WA4 069 0.01294 0.4157 2.29226
63 3A1I UNU 0.005646 0.43541 2.30326
64 4LCQ URQ 0.00003152 0.46055 2.30769
65 1UF5 CDT 0.03507 0.40061 2.31023
66 1UOU CMU 0.005871 0.42617 2.32068
67 1PEA ACM 0.01686 0.44433 2.33766
68 3Q3C NAD 0.00003101 0.41045 2.34114
69 4OB6 S2T 0.003921 0.42933 2.34604
70 3DGB MUC 0.0273 0.40183 2.35602
71 1RM4 NDP 0.000001619 0.44626 2.37389
72 2QV7 ADP 0.004556 0.42671 2.37389
73 3F8C HT1 0.02452 0.41994 2.38095
74 1SW0 PGA 0.00009584 0.50953 2.41935
75 1GVF PGH 0.004573 0.44371 2.44755
76 4NAO AKG 0.04509 0.41631 2.45399
77 4L7I SAM 0.01494 0.4026 2.457
78 3JQ3 ADP 0.00474 0.43872 2.45902
79 1E4I NFG 0.0004355 0.43127 2.46085
80 1G41 ADP 0.000008389 0.40448 2.47748
81 1UW1 ADP 0.02359 0.42075 2.5
82 2OG2 MLI 0.01109 0.4187 2.50696
83 2CBZ ATP 0.007129 0.43571 2.53165
84 2ORV 4TA 0.002706 0.41115 2.5641
85 3DC4 ADP 0.02163 0.40874 2.61628
86 1DQX BMP 0.005156 0.40466 2.62172
87 3OIG NAD 0.0000005173 0.45783 2.63158
88 4F4S EFO 0.02469 0.41535 2.63158
89 1O51 ADP 0.001738 0.41461 2.63158
90 2EJU SAH 0.01203 0.40308 2.6455
91 4CCW VKC 0.02063 0.40915 2.67559
92 1GJW GLC 0.01203 0.44582 2.69784
93 1GJW MAL 0.003513 0.44439 2.69784
94 1P4V GLY 0.04781 0.43925 2.71186
95 2FLI DX5 0.0003386 0.45429 2.72727
96 1KBI FMN 0.00006468 0.45835 2.73973
97 3V91 UPG 0.0000356 0.40482 2.74914
98 3WCS MAN NAG 0.02064 0.4098 2.75591
99 1K6M AGS 0.002229 0.42045 2.77778
100 1A5Z OXM 0.000008062 0.61921 2.82132
101 1A5Z FBP 0.0000005978 0.56088 2.82132
102 1A5Z NAD 0.000004682 0.42444 2.82132
103 4KFU ACP 0.0396 0.40027 2.83019
104 3UXL CFI 0.000004326 0.44293 2.87206
105 4L80 OXL 0.007102 0.42229 2.87356
106 1YBH FAD 0.0000837 0.42269 2.8777
107 2Z5Y HRM 0.000002701 0.49401 2.92398
108 3K3G MMU 0.001063 0.48171 2.94118
109 1NYT NAP 0.003909 0.40284 2.95203
110 4HE2 AMP 0.00002399 0.45663 2.95858
111 1RZM E4P 0.02958 0.42578 2.95858
112 1RZM PEP 0.01562 0.42461 2.95858
113 1I2B UPG 0.000000327 0.50292 2.9703
114 1I2B USQ 0.000000327 0.50292 2.9703
115 1I2B NAD 0.000000327 0.50292 2.9703
116 4OYA 1VE 0.0005576 0.4074 2.97872
117 2ET1 GLV 0.0002176 0.40805 2.98507
118 3V1V GST 0.01019 0.40916 3.00231
119 1KYZ SAH 0.002782 0.42749 3.0137
120 2BJF DXC 0.0000242 0.42435 3.03951
121 3FPZ AHZ 0.00006437 0.42153 3.06748
122 1JJ7 ADP 0.03203 0.40665 3.07692
123 1Y0L HAN 0.02033 0.45004 3.09735
124 4QCK ASD 0.0003201 0.43916 3.10881
125 3VGL ANP 0.000000657 0.47814 3.11526
126 3VGL BGC 0.00004345 0.45618 3.11526
127 1QD0 RR6 0.002211 0.44829 3.125
128 1MXI SAH 0.006449 0.41349 3.125
129 1SAZ ACP 0.0000477 0.42331 3.14961
130 2D2I NAP 0.00341 0.40772 3.15789
131 4W6Z ETF 0.003342 0.48147 3.17003
132 4LHM AZZ 0.02189 0.42231 3.18182
133 1VKF CIT 0.006528 0.43703 3.19149
134 1E4E ADP 0.00553 0.41605 3.207
135 1SKQ GDP 0.01806 0.40065 3.21839
136 1R6B ADP 0.01065 0.4117 3.23741
137 3M0J OAF 0.000001534 0.4037 3.25733
138 4G1V FAD 0.00007955 0.42755 3.25815
139 2FJK 13P 0.005339 0.43049 3.27869
140 3ZF8 GDP 0.02417 0.40775 3.27869
141 1HV9 UD1 0.00005085 0.4086 3.28947
142 4M4Q 21A 0.004609 0.40324 3.3195
143 2Q3O FMN 0.002021 0.40674 3.32481
144 3SHR CMP 0.001952 0.45552 3.34448
145 1XMV ADP 0.00002955 0.40988 3.37079
146 1NNS ASP 0.02857 0.40455 3.37423
147 4WVH ASP HIS ASP ALA HIS ALA 0.0003621 0.49354 3.37711
148 1TV5 ORO 0.001226 0.44744 3.386
149 1TV5 A26 0.001096 0.43147 3.386
150 1TV5 FMN 0.0009855 0.40999 3.386
151 1Z34 2FD 0.00006056 0.40283 3.40426
152 1H16 PYR 0.008242 0.46079 3.41727
153 1F3L SAH 0.003208 0.4148 3.42679
154 1T5C ADP 0.02934 0.40629 3.4384
155 1JCM 137 0.0006377 0.45545 3.4749
156 2X61 NGA GAL SIA 0.000003592 0.4361 3.48837
157 2X61 CH 0.00001762 0.40054 3.48837
158 1HQL GLA MBG 0.01681 0.41404 3.50195
159 4M51 BEZ 0.02956 0.43137 3.51288
160 3Q85 GNP 0.008183 0.42139 3.5503
161 1Z4V DAN 0.000387 0.41451 3.57143
162 2NCD ADP 0.01268 0.43368 3.59712
163 2C2A ADP 0.01414 0.40354 3.59712
164 1OX5 1PR 0.0008258 0.40575 3.6036
165 1KBJ FMN 0.002132 0.40081 3.64078
166 1LDM NAD 0.000002504 0.44583 3.64742
167 1A8S PPI 0.0001994 0.49555 3.663
168 1EDO NAP 0.0000007052 0.46284 3.68852
169 2QLX RM4 0.002093 0.48447 3.7037
170 3N5C GDP 0.01305 0.41142 3.7037
171 1LCP PLU 0.01458 0.40145 3.71901
172 1QZZ SAM 0.002948 0.43854 3.74332
173 3R51 MMA 0.004423 0.48291 3.75
174 1Q11 TYE 0.02113 0.4185 3.76344
175 3PXP MYR 0.01555 0.40191 3.76712
176 2YP9 SIA CMO 0.001473 0.44427 3.77734
177 4NTX AMR 0.01918 0.42272 3.77778
178 2JFV FLC 0.001865 0.47991 3.78007
179 4C81 CDP 0.003036 0.42067 3.80435
180 3IU9 T07 0.000061 0.40854 3.81944
181 1US5 GLU 0.002874 0.43895 3.82166
182 4LN7 1ZQ 0.0115 0.40707 3.82775
183 4BI7 PGA 0.00009005 0.52425 3.89105
184 1F5F DHT 0.002055 0.43648 3.90244
185 3AI8 HNQ 0.02574 0.4048 3.90625
186 4M5P MLA 0.0004688 0.54722 3.9312
187 3LRE ADP 0.01839 0.41806 3.94366
188 4A8H PUW 0.001639 0.40268 3.94366
189 2VDJ HSE 0.045 0.42158 3.98671
190 4P87 4NP 0.00001807 0.47645 3.99003
191 3BF1 PAU 0.01297 0.40757 4.01606
192 3IP8 B85 0.02192 0.4003 4.03226
193 2FR6 CTN 0.002548 0.42895 4.10959
194 2FR6 URI 0.007391 0.41121 4.10959
195 2C5S AMP 0.01774 0.41771 4.11622
196 3CI3 3PO 0.001618 0.40691 4.12371
197 3CI3 5AD 0.001618 0.40691 4.12371
198 3GTD MLI 0.01375 0.432 4.14938
199 2P2V CSF 0.0000008914 0.43367 4.16667
200 4LKK SIA GAL 0.001942 0.43347 4.16667
201 1A4R GDP 0.008597 0.40159 4.18848
202 2QZ4 ADP 0.007256 0.41567 4.19847
203 3U1T MLI 0.00459 0.46713 4.20712
204 2WMO GTP 0.009965 0.40921 4.21053
205 3I8P 840 0.008025 0.4168 4.21546
206 3MTW M3R 0.01808 0.40253 4.21836
207 1Y2W NAG 0.003402 0.46707 4.22535
208 2OFE NAG 0.02661 0.42298 4.22535
209 2OFD NGA 0.0146 0.41805 4.22535
210 1MVQ MMA 0.00002581 0.45567 4.23729
211 4AG9 COA 0.01701 0.40574 4.24242
212 3HB5 E2B 0.005424 0.40082 4.28135
213 4IEN GDP 0.001604 0.40702 4.29448
214 4IEN COA 0.001143 0.40345 4.29448
215 4NVP 7CH 0.000001918 0.41692 4.30622
216 4IXW IXW 0.003032 0.4522 4.33071
217 5RHN 8BR 0.007271 0.41853 4.34783
218 3PC3 P1T 0.007901 0.40377 4.36433
219 4M37 SAH 0.001807 0.43084 4.37318
220 1C1L GAL BGC 0.03705 0.42073 4.37956
221 1F7K UMP 0.001019 0.42732 4.41176
222 2O66 FLC 0.01775 0.42668 4.44444
223 4COQ SAN 0.04576 0.41122 4.45344
224 1UZD CAP 0.001539 0.42671 4.47761
225 1WDA BAG 0.006265 0.43805 4.4964
226 3MD0 GDP 0.002397 0.45677 4.50704
227 1WNG SAH 0.001934 0.42974 4.5283
228 3RO7 TDR 0.00006544 0.42973 4.5283
229 1FWY UD1 0.0007269 0.40926 4.53172
230 2GGH NLQ 0.00009424 0.42615 4.53333
231 1SS4 CIT 0.002168 0.51191 4.57516
232 1OGD RIP 0.02349 0.41636 4.58015
233 4E13 NAD 0.002334 0.42314 4.59364
234 3D2Y AH0 ALA FGA LYS 0.009492 0.40704 4.5977
235 1UCN ADP 0.01899 0.40503 4.60526
236 3CQ5 PMP 0.00865 0.43176 4.60705
237 2FKA BEF 0.01783 0.40143 4.65116
238 1YOE RIB 0.0000004998 0.40749 4.65839
239 3ZPG 5GP 0.02861 0.43831 4.67626
240 1L3I SAH 0.003085 0.40345 4.6875
241 2HVK TBA 0.00006695 0.55084 4.71698
242 2HIM ASP 0.01495 0.41491 4.7486
243 1XIU REA 0.003291 0.42845 4.78261
244 1G8S MET 0.02446 0.4248 4.78261
245 3UEC ALA ARG TPO LYS 0.01054 0.44874 4.79452
246 3O55 FAD 0.004725 0.40008 4.8
247 2C9O ADP 0.000003063 0.47937 4.82456
248 1A27 NAP 0.0005961 0.41752 4.84429
249 1A27 EST 0.01247 0.40906 4.84429
250 4QNW FMN 0.001303 0.42974 4.84694
251 4IVG ANP 0.00003056 0.40849 4.85612
252 1G7S GDP 0.01524 0.4042 4.85612
253 4M7F BM3 0.000006131 0.58179 4.86726
254 3KMZ EQO 0.002379 0.40715 4.88722
255 3L6R MLI 0.01227 0.44537 4.91329
256 3F81 STT 0.02165 0.44501 4.91803
257 1LNX URI 0.03671 0.40728 4.93827
258 1EYQ NAR 0.01497 0.42104 4.95496
259 2Q37 3AL 0.01031 0.43798 4.97238
260 4P4T GDP 0.01039 0.40553 5
261 2QS8 MET 0.000002118 0.40189 5.02392
262 1V5F FAD 0.00004502 0.45259 5.03597
263 1V5F TPP 0.00004502 0.45259 5.03597
264 1FNZ A2G 0.000005338 0.51396 5.06329
265 3A2Y TS5 0.0165 0.40089 5.07614
266 2RHQ GAX 0.0008336 0.4357 5.10204
267 1QO0 BMD 0.02363 0.42555 5.10204
268 2Q8M AMP 0.002097 0.44926 5.12048
269 2OWZ F6P 0.00001508 0.43542 5.12048
270 2OWZ CIT 0.03713 0.41577 5.12048
271 1ONX ASP 0.000009175 0.48608 5.12821
272 1YBQ BDH 0.000004192 0.46377 5.12821
273 1O7N IND 0.0004087 0.44675 5.15464
274 3NJQ NJQ 0.00002283 0.47314 5.18135
275 1J2Z SOG 0.00009815 0.49097 5.18518
276 1NVU GTP 0.00001331 0.4209 5.1975
277 3B8I OXL 0.01992 0.41191 5.22648
278 2YDW WSH 0.03135 0.40276 5.22876
279 4GLW NMN 0.01664 0.41119 5.2459
280 1UGX GAL MGC 0.00001873 0.46764 5.26316
281 2PP3 LGT 0.003764 0.43415 5.27638
282 1A59 COA 0.008685 0.40852 5.29101
283 3ULK NDP 0.007908 0.40079 5.29532
284 4B9E FAH 0.002489 0.48065 5.31561
285 3AYS CT3 0.034 0.40121 5.31915
286 4G5G GDP 0.01322 0.41114 5.32995
287 3U6K GDP 0.01352 0.41066 5.32995
288 2BVN GNP 0.01262 0.40084 5.34351
289 1Y42 TYR 0.03628 0.40753 5.35714
290 3UWV 2PG 0.005175 0.4046 5.36398
291 1X1T NAD 0.000006224 0.44177 5.38462
292 3IAE D7K 0.00167 0.40113 5.39568
293 4PB2 5UD 0.0008167 0.44787 5.42453
294 1NXJ TLA 0.0001173 0.48789 5.46448
295 1NXJ GLV 0.002263 0.45789 5.46448
296 4EXO PYR 0.01379 0.44897 5.47945
297 4F8L GAL 0.01485 0.47019 5.51724
298 3WY9 GDP 0.01445 0.41339 5.52995
299 1Q6O LG6 0.001571 0.44224 5.55556
300 1W31 SHO 0.00002028 0.40051 5.55556
301 4LTN FMN 0.00002824 0.40148 5.58376
302 1Z0F GDP 0.002528 0.44161 5.58659
303 2RCN GDP 0.009927 0.41726 5.58659
304 4BPM GSH 0.0009799 0.42293 5.61798
305 3HPF GAE 0.0001383 0.42151 5.6266
306 1LYX PGA 0.0003694 0.47608 5.64516
307 1B63 ANP 0.001322 0.42855 5.70571
308 1MOQ GLP 0.004811 0.41837 5.70652
309 1HDG NAD 0.002855 0.4074 5.72289
310 3BFX A3P 0.003953 0.41638 5.74324
311 2B6N ALA PRO THR 0.01413 0.40502 5.7554
312 1T0I FMN 0.001625 0.43643 5.75916
313 1DWK OXL 0.01405 0.42347 5.76923
314 2GWD GLU 0.001132 0.47137 5.79065
315 3OIX FMN 0.001315 0.42778 5.7971
316 2DWU DGL 0.03243 0.40583 5.7971
317 1WKL ATP 0.0007992 0.44823 5.83942
318 1WKL ADP 0.0009643 0.44511 5.83942
319 2WUF KEM 0.002234 0.41714 5.84192
320 1V8K ANP 0.0002737 0.42479 5.85366
321 3BRE C2E 0.003076 0.46923 5.86592
322 3EXS 5RP 0.002182 0.44954 5.88235
323 3P7I P7I 0.004234 0.45086 5.919
324 1Y75 NAG 0.008332 0.43249 5.9322
325 4HPP GLU 0.0002118 0.41636 5.93525
326 2BTM PGA 0.00008518 0.52546 5.95238
327 3KP6 SAL 0.01834 0.40942 5.96026
328 1CBF SAH 0.006048 0.42175 5.96491
329 1K27 MTM 0.0001108 0.43338 6.00707
330 2NZ2 CIR 0.00003794 0.46593 6.05327
331 4IU0 ABH 0.001437 0.42726 6.06061
332 3CTL S6P 0.005461 0.40685 6.06061
333 1MR3 G3D 0.017 0.40193 6.07735
334 1QS8 IVA VAL VAL STA ALA STA 0.002136 0.43188 6.07903
335 2Z9V PXM 0.004192 0.45106 6.12245
336 1OMZ UD2 0.00001165 0.41027 6.14334
337 1UA4 GLC 0.008226 0.42575 6.15385
338 1G6H ADP 0.01807 0.42002 6.22568
339 4K30 NLG 0.006792 0.44137 6.25
340 1H8G CHT 0.03628 0.44683 6.31579
341 4OHB 5HM 0.01836 0.40226 6.31579
342 4MOB ADP 0.000728 0.45642 6.3253
343 1JN2 SFP 0.01509 0.48173 6.32911
344 2C1Q BTN 0.000004064 0.41518 6.34921
345 3TAO PGH 0.0001121 0.42638 6.36704
346 1ECM TSA 0.01511 0.42086 6.42202
347 3LTW HLZ 0.01144 0.44114 6.42857
348 3FSJ D7K 0.0000804 0.41327 6.43939
349 1V7R CIT 0.01774 0.45718 6.45161
350 2WET TRP 0.01677 0.40605 6.45793
351 4BGB ADP 0.00942 0.41838 6.46154
352 2HS3 FGR 0.003729 0.41748 6.47482
353 4IMG NGF 0.00231 0.42686 6.48464
354 1VG1 GDP 0.01161 0.40989 6.48649
355 2XDQ MGX 0.007738 0.46959 6.52174
356 1OYF MHN 0.001794 0.47046 6.61157
357 4KCT PYR 0.002182 0.4586 6.61323
358 3NGU ADP 0.004225 0.43208 6.62252
359 1FX8 BOG 0.0003194 0.46818 6.65468
360 4GQB 0XU 0.00001764 0.41602 6.65468
361 4QDF 30Q 0.0002955 0.43506 6.66667
362 4QDC ASD 0.0004953 0.4278 6.66667
363 1KTC NGA 0.01984 0.41978 6.66667
364 2NVK NAP 0.02707 0.41349 6.7623
365 1I9G SAM 0.000001904 0.4312 6.78571
366 1Z44 FMN 0.003219 0.43218 6.80473
367 1Z41 FMN 0.003753 0.42496 6.80473
368 1Z48 FMN 0.003862 0.42439 6.80473
369 1Z42 FMN 0.00958 0.4139 6.80473
370 3W9Z FMN 0.003488 0.41875 6.8323
371 4TSK NDP 0.00001332 0.42292 6.85714
372 1JH7 UVC 0.0001485 0.41241 6.87831
373 1LTH NAD 0.000004824 0.42882 6.89655
374 2HMT NAI 0.00003903 0.40393 6.94444
375 3OVR 5SP 0.001668 0.42172 7.01754
376 3PMD 11A 0.01322 0.41926 7.18954
377 1NU4 MLA 0.009978 0.42897 7.2165
378 3O03 NAP 0.000008519 0.42742 7.2165
379 1BDB NAD 0.00005372 0.41905 7.22022
380 2Z6I FMN 0.0001074 0.4707 7.22892
381 2ZO9 MLI 0.003571 0.44174 7.29927
382 2GJN FMN 0.0002328 0.43727 7.31707
383 2GJN NIS 0.0002301 0.42643 7.31707
384 2JL1 NAP 0.004059 0.41115 7.31707
385 1S8F GDP 0.001322 0.45291 7.34463
386 3A1S GDP 0.01728 0.40158 7.36434
387 4LIT AKG 0.01848 0.42584 7.37101
388 2BII MTV 0.002454 0.41572 7.3741
389 4WBD CIT 0.0208 0.41482 7.39372
390 1O9U ADZ 0.01135 0.46046 7.42857
391 1YRX FMN 0.02032 0.4038 7.43802
392 2Q09 DI6 0.02287 0.41272 7.45192
393 2WLT ASP 0.00009229 0.44592 7.53012
394 1B57 PGH 0.01315 0.41125 7.5419
395 1G4U AF3 0.01701 0.40883 7.6087
396 3QDY CBS 0.003012 0.47644 7.69231
397 1U29 I3P 0.02673 0.40394 7.75194
398 1VQ2 DDN 0.000002277 0.44484 7.77202
399 1F8F NAD 0.000009983 0.42377 7.81671
400 1V6A TRE 0.002619 0.46634 7.83133
401 3Q72 GNP 0.009359 0.42292 7.83133
402 2Q1A 2KT 0.0000238 0.4908 7.84983
403 4PTZ FMN 0.0123 0.40592 7.8534
404 2V68 CAP 0.001105 0.43657 7.85714
405 2V67 CAP 0.001193 0.43135 7.85714
406 2VDH CAP 0.001219 0.43095 7.85714
407 2V63 CAP 0.001221 0.43093 7.85714
408 2V6A CAP 0.001152 0.42025 7.85714
409 1EYE PMM 0.02194 0.4059 7.85714
410 4FUA PGH 0.00001025 0.48451 7.90698
411 3A8T ATP 0.004711 0.42445 7.9646
412 1W8S FBP 0.01043 0.40827 7.98479
413 2W24 LYS 0.001847 0.4051 8
414 4MJ0 SIA SIA 0.02808 0.40312 8
415 1MZV AMP 0.002199 0.45326 8.08511
416 2F6U CIT 0.0008372 0.48174 8.11966
417 1I2L DCS 0.003149 0.42182 8.17844
418 4U9W COA 0.01577 0.40166 8.21256
419 3M31 FAD 0.004619 0.40612 8.24742
420 1RBL CAP 0.001388 0.425 8.25688
421 4UTU LRY 0.0005963 0.46638 8.29694
422 1JQ5 NAD 0.0002286 0.42807 8.37838
423 4NAE 1GP 0.0003024 0.50622 8.44444
424 2JBH 5GP 0.007071 0.4357 8.44444
425 2WL9 MBD 0.0001445 0.45459 8.52459
426 3MB5 SAM 0.000007914 0.42169 8.62745
427 3O2K QRP 0.005483 0.43596 8.64979
428 4QN6 LNV 0.0003257 0.40594 8.69565
429 4UTW RFW 0.0006429 0.41284 8.73362
430 1XE7 GUN 0.01252 0.45811 8.86699
431 3HF3 FMN 0.004168 0.4009 8.88252
432 3VOZ 04A 0.0002546 0.47205 8.88889
433 2AWN ADP 0.01747 0.4191 8.92388
434 1Y7P RIP 0.02779 0.43279 8.96861
435 2Y6P CTP 0.0004444 0.4835 8.97436
436 1UZH CAP 0.001587 0.42615 9.01639
437 3EJ0 11X 0.0002689 0.50965 9.18367
438 3W8S GSH 0.04122 0.40904 9.2233
439 1IR2 CAP 0.001258 0.43038 9.28571
440 3AXK NDP 0.006018 0.41558 9.30233
441 2YPI PGA 0.0002338 0.49704 9.31174
442 3CEV ARG 0.03696 0.40324 9.36455
443 2JC9 ADN 0.003539 0.45445 9.36937
444 1WDD CAP 0.001012 0.43821 9.375
445 1XX6 ADP 0.02173 0.40978 9.42408
446 2Y7G AAE 0.001755 0.44338 9.57447
447 1ZJ6 G3D 0.002777 0.44409 9.62567
448 2IYG FMN 0.01465 0.4134 9.67742
449 1SJW NGV 0.01145 0.41056 9.72222
450 4DKX GDP 0.01306 0.40744 9.72222
451 1OFH ADP 0.000001047 0.4496 9.77011
452 3QVL 5HY 0.00002324 0.40207 9.79592
453 4JEJ 1GP 0.00005687 0.52036 9.83607
454 2B7N NTM 0.03949 0.40995 9.89011
455 3PHQ KDO 0.01958 0.4714 9.90991
456 1RSD PSB 0.0001398 0.44499 9.91736
457 2Z6J FMN 0.00002916 0.44969 9.93976
458 3HRD NIO 0.03441 0.40041 10
459 2F59 INI 0.0001206 0.47965 10.1911
460 2F2U M77 0.00418 0.4411 10.199
461 2FH5 GTP 0.01075 0.40184 10.2703
462 1YRB GDP 0.0005532 0.46292 10.3053
463 1QDS PGA 0.00004173 0.53367 10.3586
464 4Q3S X7A 0.002914 0.40289 10.3896
465 2W58 ADP 0.0008591 0.48397 10.396
466 4I9A NCN 0.0007562 0.45214 10.4167
467 2HNK SAH 0.005215 0.41362 10.4603
468 3GLC R5P 0.005029 0.42732 10.5085
469 1TUV VK3 0.01398 0.45549 10.5263
470 3KJQ B94 0.006144 0.42945 10.5263
471 2VAR KDF 0.0007655 0.4678 10.5431
472 2VAR KDG 0.001738 0.45272 10.5431
473 2VAR AMP 0.002863 0.44827 10.5431
474 2VAR ANP 0.00398 0.41467 10.5431
475 1GSA ADP 0.0000003205 0.45037 10.7595
476 4N7C AEF 0.0009616 0.50163 10.7955
477 2Y7P SAL 0.001367 0.47353 11.0092
478 3NFZ 3NF 0.01176 0.41746 11.0092
479 1UJP CIT 0.003609 0.42182 11.0701
480 4PNO U5P 0.001997 0.44552 11.1111
481 1BGV GLU 0.000005731 0.44956 11.1359
482 2NLI LAC 0.00000007868 0.46675 11.1413
483 3BY8 MLT 0.009424 0.45122 11.2676
484 3PQC GDP 0.007911 0.4314 11.2821
485 4J0Q GDP 0.01217 0.41717 11.3164
486 1BTN I3P 0.0157 0.47412 11.3208
487 3RK0 AMP 0.01924 0.40835 11.3924
488 3B0P FMN 0.0001088 0.49514 11.4286
489 2P8O BVA 0.01015 0.40922 11.4504
490 2E1A MSE 0.001967 0.46061 12
491 1XX4 BAM 0.001069 0.4816 12.2605
492 3BW2 FMN 0.00007365 0.43279 12.4661
493 1TB3 FMN 0.003708 0.41811 12.5
494 1YOA FMN 0.03648 0.44668 12.5786
495 2QCD U5P 0.004539 0.41029 12.6923
496 2Y88 2ER 0.0001045 0.40511 12.7049
497 2J5V PCA 0.02058 0.40113 12.8065
498 1TH8 ADP 0.00168 0.45835 12.931
499 4Q4K FMN 0.00004369 0.49297 13.1653
500 2W2X GSP 0.006719 0.40298 13.7097
501 4ORM ORO 0.004811 0.44107 13.7157
502 3LXR GDP 0.008609 0.41219 14.0541
503 2YLD CMO 0.009263 0.44566 14.1732
504 1EB9 HBA 0.004687 0.43445 14.5038
505 4TMK T5A 0.000003639 0.46959 14.554
506 4JP3 CIT 0.0114 0.41027 14.6444
507 2ZSC BTN 0.00271 0.44004 14.8936
508 2WK1 SAH 0.008422 0.40275 14.8936
509 1WVC CTP 0.00002121 0.43634 15.0579
510 3GJ4 GDP 0.01838 0.40029 15.1515
511 1M7G AV2 0.005182 0.43585 15.6398
512 4G4S LDZ 0.01579 0.40164 15.7658
513 1BWV CAP 0.001229 0.44108 15.942
514 3CF6 SP1 0.004299 0.42772 16.1677
515 2BZ1 TAU 0.004827 0.49937 16.3265
516 4JNJ BTN 0.04607 0.42679 16.5217
517 2FYU FDN 0.00532 0.41669 16.6667
518 1Z0A GDP 0.007289 0.41557 17.2414
519 2GJ3 FAD 0.00001748 0.43404 17.5
520 1JA9 NDP 0.00001183 0.43333 17.8832
521 1JA9 PYQ 0.0000008488 0.40874 17.8832
522 4EWN 0VR 0.00005387 0.50907 18.1818
523 3GJ7 GDP 0.01513 0.40825 18.3673
524 2BTO GTP 0.00003006 0.43064 19.4444
525 43CA NPO 0.04246 0.44612 19.469
526 1O6B ADP 0.00001257 0.41161 19.5266
527 3ZZS TRP 0.000003185 0.41293 20
528 1TRD PGH 0.00009652 0.50938 20.8
529 3QH2 3NM 0.001698 0.46591 23.0769
530 5DRN 5CT 0.02066 0.44965 25
531 1T0S BML 0.01247 0.45128 25.5814
532 3KIH GDL 0.0274 0.40338 26.8041
533 3RF4 FUN 0.002795 0.45919 27.5862
534 1SC3 MLI 0.001129 0.50629 28.6517
535 2XD9 XD9 0.00007691 0.44359 28.7425
536 2BLE 5GP 0.00000000000132 0.814 30.5177
537 2C6Q IMP 0.000000000000004996 0.85097 34.4729
538 2C6Q NDP 0.00000000000008504 0.59631 34.4729
539 2FEQ 34P 0.01132 0.40734 41.6667
540 2FOI JPA 0.01194 0.4212 45
Pocket No.: 2; Query (leader) PDB : 4AF0; Ligand: MOA; Similar sites found: 286
This union binding pocket(no: 2) in the query (biounit: 4af0.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.0009182 0.46732 None
2 3SJ0 DXC 0.01024 0.42538 None
3 1UO4 PIH 0.02635 0.42476 None
4 4RJK PYR 0.01545 0.4458 1.25899
5 4DN8 BMA 0.0005058 0.47912 1.28205
6 2W8Q SIN 0.00006446 0.41985 1.43737
7 1LW4 TLP 0.01687 0.41072 1.44092
8 3VCA PRO 0.0006999 0.46209 1.45631
9 2IMP NAI 0.000005298 0.52872 1.46138
10 2IMP LAC 0.0001659 0.40655 1.46138
11 1GPJ CIT 0.01837 0.40787 1.48515
12 2EB5 OXL 0.01128 0.4176 1.49813
13 2YYJ 4HP 0.0002758 0.46716 1.6632
14 2YYJ FAD 0.0002758 0.46716 1.6632
15 3TKA CTN 0.01423 0.43992 1.72911
16 2GN2 C5P 0.00001526 0.48598 1.75439
17 3I0O ADP 0.0007861 0.44477 1.76991
18 2YIV YIV 0.008655 0.43541 1.79856
19 2ZWS PLM 0.02809 0.43111 1.79856
20 2VJJ RAM GLC GAL NAG NAG GLC 0.002166 0.41578 1.79856
21 4JWX 1N4 0.007793 0.41419 1.79856
22 1VCO GLN 0.0001578 0.41233 1.81818
23 3HU3 AGS 0.0003051 0.45421 1.84049
24 4CMF PXG 0.00008345 0.46482 1.86335
25 3GM5 CIT 0.02184 0.40442 1.88679
26 2Q8H TF4 0.02117 0.42268 1.9656
27 4KCF FMN 0.00001824 0.47242 1.98238
28 4KCF AKM 0.0001646 0.45468 1.98238
29 4C2G ALA ALA ALA ALA 0.006013 0.41404 2.01794
30 3DRW AMP 0.01379 0.40513 2.1097
31 4FR3 0V4 0.001883 0.431 2.13675
32 4FR3 LYS ARG ARG LYS SEP VAL 0.001883 0.431 2.13675
33 3NOJ PYR 0.002756 0.43631 2.15827
34 2P8B NSK 0.01018 0.4186 2.16802
35 1T26 NAI 0.0001774 0.4803 2.17391
36 1T26 GBD 0.0001774 0.4803 2.17391
37 5T63 ALA ALA ALA ALA 0.0002149 0.42678 2.17984
38 1Q3Q ANP 0.0003345 0.4495 2.18978
39 1YHM AHD 0.01516 0.40657 2.20994
40 4LCQ URQ 0.00008692 0.40997 2.30769
41 1PEA ACM 0.00433 0.45022 2.33766
42 3Q3C NAD 0.00007603 0.46822 2.34114
43 1CR1 TTP 0.00002687 0.49672 2.36486
44 1RM4 NDP 0.000343 0.45079 2.37389
45 1R0X ATP 0.001089 0.40922 2.44755
46 1QW9 KHP 0.000276 0.41728 2.51799
47 1WL4 COA 0.0008991 0.42356 2.51889
48 3OIG NAD 0.0001615 0.46231 2.63158
49 3OIG IMJ 0.001768 0.40245 2.63158
50 4F4S EFO 0.01614 0.40066 2.63158
51 1GJW GLC 0.01552 0.4168 2.69784
52 1A5Z OXM 0.0001752 0.51863 2.82132
53 1A5Z FBP 0.0004961 0.42318 2.82132
54 1YBH FAD 0.0002374 0.47204 2.8777
55 1YBH CIE 0.0001699 0.44318 2.8777
56 1YBH P22 0.0004626 0.41833 2.8777
57 3CXO 1N5 0.000048 0.44961 2.89157
58 3CXO 3LR 0.0001011 0.43606 2.89157
59 2TOH HBI 0.0002908 0.41476 2.91545
60 2Z5Y HRM 0.00001471 0.43018 2.92398
61 3K3G MMU 0.001359 0.44961 2.94118
62 4HE2 AMP 0.0001029 0.4005 2.95858
63 1I2B UPG 0.001004 0.46231 2.9703
64 1I2B USQ 0.001004 0.46231 2.9703
65 1I2B NAD 0.001004 0.46231 2.9703
66 4OYA 1VE 0.001947 0.44326 2.97872
67 3TFC PEP 0.01499 0.40203 3.05755
68 3FPZ AHZ 0.00003836 0.49724 3.06748
69 1Y0L HAN 0.02806 0.41971 3.09735
70 4QCK ASD 0.0002875 0.41018 3.10881
71 3VGL BGC 0.00001021 0.43745 3.11526
72 1SAZ ACP 0.00115 0.44194 3.14961
73 2IZ1 ATR 0.007797 0.42493 3.16456
74 4W6Z ETF 0.03274 0.41287 3.17003
75 4LHM AZZ 0.01741 0.40391 3.18182
76 1E4E PHY 0.001439 0.41984 3.207
77 3M0J OAF 0.0002171 0.42878 3.25733
78 4G1V FAD 0.007023 0.42082 3.25815
79 2BNE U5P 0.0001694 0.43592 3.3195
80 3SHR CMP 0.003399 0.41932 3.34448
81 1XMV ADP 0.0001693 0.45523 3.37079
82 1TV5 ORO 0.002504 0.40895 3.386
83 1TV5 A26 0.001089 0.40412 3.386
84 1Z34 2FD 0.0009219 0.42986 3.40426
85 1FA2 DOM 0.0003206 0.42031 3.41365
86 1H16 PYR 0.001145 0.47861 3.41727
87 4OE4 NAD 0.0007332 0.41125 3.41727
88 1OTH PAO 0.001232 0.40616 3.42679
89 2X61 CH 0.000001626 0.50996 3.48837
90 2X61 NGA GAL SIA 0.0001381 0.46295 3.48837
91 4M51 BEZ 0.002887 0.45888 3.51288
92 3SUC ATP 0.00009106 0.45085 3.62694
93 1LDM NAD 0.00002945 0.49193 3.64742
94 1A8S PPI 0.001676 0.42908 3.663
95 1EDO NAP 0.0000008552 0.55056 3.68852
96 2BNF UTP 0.0001741 0.44159 3.73444
97 3R51 MMA 0.02097 0.42289 3.75
98 1Q11 TYE 0.01527 0.40168 3.76344
99 2YP9 SIA CMO 0.0005566 0.43258 3.77734
100 3IU9 T07 0.002248 0.42128 3.81944
101 1MVN PCO 0.00331 0.41425 3.82775
102 3F3E LEU 0.002499 0.40236 3.85356
103 4HZX G39 0.00009809 0.45107 3.86598
104 4M5P MLA 0.02229 0.42868 3.9312
105 4P87 4NP 0.0004097 0.40036 3.99003
106 3FS8 TDR 0.01363 0.40188 4.0293
107 3FS8 ACO 0.01545 0.40069 4.0293
108 2BH9 NAP 0.004717 0.40091 4.08998
109 2C5S AMP 0.00681 0.4118 4.11622
110 4LKK SIA GAL 0.002221 0.40489 4.16667
111 3U1T MLI 0.009797 0.4263 4.20712
112 1Y2W NAG 0.0108 0.41845 4.22535
113 2OFE NAG 0.01522 0.41163 4.22535
114 1MVQ MMA 0.00001442 0.42029 4.23729
115 4NVP 7CH 0.00001577 0.4715 4.30622
116 3HZS M0E 0.002109 0.40909 4.30622
117 2BGM NAJ 0.0002888 0.45174 4.31655
118 2BGM MAX 0.0007158 0.40279 4.31655
119 4IXW IXW 0.007825 0.40931 4.33071
120 2H6B 3C4 0.001918 0.42136 4.4
121 2O66 FLC 0.001604 0.44963 4.44444
122 4COQ SAN 0.02282 0.40354 4.45344
123 2C31 ADP 0.01074 0.40425 4.4964
124 2C31 TZD 0.01177 0.40338 4.4964
125 3RO7 TDR 0.0004346 0.46625 4.5283
126 2GGH NLQ 0.00001657 0.4004 4.53333
127 2BO4 FLC 0.03186 0.40188 4.53401
128 1OGD RIP 0.003523 0.42891 4.58015
129 1W55 C 0.003129 0.40899 4.58221
130 3D2Y AH0 ALA FGA LYS 0.002911 0.4008 4.5977
131 4MWV BCZ 0.00005768 0.45603 4.63918
132 1YOE RIB 0.00001064 0.46677 4.65839
133 3ZPG 5GP 0.01765 0.42675 4.67626
134 2HVK TBA 0.00001239 0.5525 4.71698
135 4C25 13P 0.00009464 0.43696 4.71698
136 1G8S MET 0.0004242 0.4826 4.78261
137 3UEC ALA ARG TPO LYS 0.01147 0.42304 4.79452
138 1VDC FAD 0.005505 0.4006 4.8048
139 4IVG ANP 0.00002768 0.48129 4.85612
140 4M7F BM3 0.0001814 0.48378 4.86726
141 3L6R MLI 0.01899 0.41263 4.91329
142 3F81 STT 0.02194 0.42187 4.91803
143 2FMD MAN MAN 0.00004365 0.42072 5
144 2QS8 MET 0.00001544 0.4617 5.02392
145 4EKV BTN 0.0002775 0.42831 5.03145
146 4N02 FNR 0.0000148 0.49281 5.03597
147 1V5F TPP 0.0006773 0.47529 5.03597
148 1V5F FAD 0.0006773 0.47529 5.03597
149 1FNZ A2G 0.000277 0.42324 5.06329
150 1QO0 BMD 0.00229 0.44923 5.10204
151 2OWZ CIT 0.01429 0.41289 5.12048
152 4QN7 G39 0.0008809 0.41477 5.12821
153 1ONX ASP 0.0001899 0.40989 5.12821
154 3NJQ NJQ 0.00002868 0.4335 5.18135
155 1NVU GTP 0.000009746 0.50122 5.1975
156 2YDW WSH 0.007281 0.40606 5.22876
157 1UGX GAL MGC 0.00003831 0.42182 5.26316
158 1A59 CIT 0.01875 0.41289 5.29101
159 4B9E FAH 0.009796 0.4263 5.31561
160 1X1T NAD 0.0002811 0.46149 5.38462
161 4U36 TNR 0.00004791 0.43872 5.41667
162 4PB2 5UD 0.001046 0.41626 5.42453
163 1NXJ TLA 0.00004532 0.47198 5.46448
164 1NXJ GLV 0.003191 0.42541 5.46448
165 4F8L GAL 0.00111 0.50999 5.51724
166 4LTN FMN 0.000002783 0.50794 5.58376
167 4LTN NAI 0.00005926 0.4678 5.58376
168 1LYX PGA 0.006222 0.40036 5.64516
169 5A2J ALA PRO ASP THR ARG PRO 0.04309 0.40366 5.7377
170 1V8K ANP 0.000003992 0.43975 5.85366
171 3P7I P7I 0.00594 0.41923 5.919
172 3S9K CIT 0.003768 0.47962 5.9322
173 2NZ2 ASP 0.00042 0.46826 6.05327
174 2NZ2 CIR 0.000203 0.40995 6.05327
175 1OMZ UD2 0.00001186 0.48676 6.14334
176 4K30 NLG 0.001844 0.42996 6.25
177 2JE7 XMM 0.0001339 0.42877 6.27615
178 1H8G CHT 0.02567 0.43333 6.31579
179 4MOB ADP 0.0002249 0.44682 6.3253
180 1JN2 SFP 0.009517 0.47958 6.32911
181 2C1Q BTN 0.000137 0.44627 6.34921
182 3LTW HLZ 0.01515 0.41172 6.42857
183 3FSJ D7K 0.0009174 0.44158 6.43939
184 1V1A ADP 0.00002671 0.45422 6.47249
185 1D3V ABH 0.0001456 0.42584 6.50155
186 2XDQ MGX 0.001652 0.47951 6.52174
187 3TO7 COA 0.001608 0.40978 6.52174
188 4KCT FDP 0.001166 0.43273 6.61323
189 4KCT PYR 0.004954 0.41752 6.61323
190 3NGU ADP 0.001818 0.42055 6.62252
191 4GQB 0XU 0.0000124 0.49546 6.65468
192 4A3R CIT 0.0002426 0.43296 6.74419
193 1I9G SAM 0.00005607 0.4664 6.78571
194 4TSK NDP 0.0001723 0.4596 6.85714
195 2QIA U20 0.006828 0.401 6.87023
196 1LTH NAD 0.0001383 0.45924 6.89655
197 2HMT NAI 0.00004023 0.47354 6.94444
198 2EI4 22B 0.003518 0.40314 7.11462
199 3O03 NAP 0.0002632 0.45315 7.2165
200 1NU4 MLA 0.02968 0.42195 7.2165
201 1BDB NAD 0.0001125 0.47586 7.22022
202 2ZO9 MLI 0.001038 0.43727 7.29927
203 1IZC PYR 0.000803 0.40837 7.37463
204 4WBD CIT 0.004773 0.44814 7.39372
205 4WBD ADP 0.01213 0.42189 7.39372
206 1O9U ADZ 0.01405 0.43186 7.42857
207 2Q09 DI6 0.004988 0.4174 7.45192
208 3CL7 HYN 0.000277 0.41541 7.46753
209 2WLT ASP 0.00005361 0.41711 7.53012
210 3KMT SAH 0.005011 0.40392 7.56302
211 2V9M CIT 0.00001096 0.40466 7.66423
212 3QDY CBS 0.003762 0.44599 7.69231
213 3QDT A2G GAL 0.01147 0.42938 7.69231
214 3QDY A2G GAL 0.01501 0.4236 7.69231
215 1VQ2 DDN 0.00009138 0.47275 7.77202
216 1F8F NAD 0.0005851 0.43931 7.81671
217 2Q1A 2KT 0.00007758 0.44101 7.84983
218 4PTZ FMN 0.0006857 0.42702 7.8534
219 4FUA PGH 0.000002259 0.4652 7.90698
220 4GLJ RHB 0.000461 0.41982 8.08081
221 1OD6 PNS 0.0005836 0.43671 8.125
222 2JBH 5GP 0.001965 0.4341 8.44444
223 2WL9 MBD 0.00003039 0.44477 8.52459
224 4B7J G39 0.0002419 0.43022 8.52878
225 3MB5 SAM 0.0001969 0.45201 8.62745
226 1RRC ADP 0.0001232 0.41891 8.63787
227 4M6T SAM 0.00117 0.41434 8.74317
228 1UQX MMA 0.00001275 0.45632 8.84956
229 3VOZ 04A 0.0001353 0.45217 8.88889
230 4CO3 ATP 0.0005667 0.42977 8.92857
231 3DUR KDO 0.01095 0.41284 8.92857
232 1Y7P RIP 0.003041 0.44361 8.96861
233 1G7V PAI 0.001383 0.41306 9.15493
234 3EJ0 11X 0.004121 0.42874 9.18367
235 2P4T NAP 0.001128 0.40602 9.67742
236 1OFH ADP 0.0005505 0.44275 9.77011
237 2FWP CIT 0.00001396 0.46666 9.83607
238 2FWP ICR 0.0000337 0.46079 9.83607
239 3CKZ ZMR 0.00111 0.4184 9.87013
240 3PHQ KDO 0.01408 0.45535 9.90991
241 1RSD PSB 0.01596 0.42545 9.91736
242 4CCO OGA 0.01228 0.40575 10
243 3K37 BCZ 0.0003527 0.46066 10.0756
244 2F2U M77 0.007929 0.40458 10.199
245 1G6O ADP 0.0008991 0.43282 10.303
246 4I9A NCN 0.0006489 0.41068 10.4167
247 3KJQ B94 0.006251 0.40438 10.5263
248 1GSA ADP 0.000121 0.45722 10.7595
249 1GSA GSH 0.00009583 0.45389 10.7595
250 4PNO U5P 0.0007779 0.43446 11.1111
251 2NLI FMN 0.00001364 0.49185 11.1413
252 2NLI LAC 0.00001364 0.49185 11.1413
253 3RK0 AMP 0.003872 0.41247 11.3924
254 2E1A MSE 0.01201 0.40159 12
255 1XX4 BAM 0.001125 0.45316 12.2605
256 2BOI MFU 0.009877 0.40979 12.3894
257 1YOA FMN 0.006278 0.46781 12.5786
258 4LBP 1WG 0.00001026 0.46727 13
259 4IAE 1DX 0.003423 0.41141 13.7566
260 2WGC SIA GAL BGC 0.009431 0.45788 14.0351
261 4TMK T5A 0.009608 0.42077 14.554
262 4JP3 CIT 0.00002386 0.40648 14.6444
263 1WVC CTP 0.00008254 0.48775 15.0579
264 2BZ1 TAU 0.007645 0.463 16.3265
265 3K9W ADE 0.002015 0.44122 17.1123
266 3K9W 4PS 0.002015 0.44122 17.1123
267 2GJ3 FAD 0.0001093 0.43746 17.5
268 1JA9 NDP 0.00007914 0.47985 17.8832
269 1JA9 PYQ 0.000236 0.42449 17.8832
270 4AP9 1PS 0.00002026 0.43221 18.408
271 1ULE GLA GAL NAG 0.001898 0.46782 19.3333
272 1EXB NDP 0.0001439 0.47201 19.4175
273 43CA NPO 0.01309 0.45229 19.469
274 1O6B ADP 0.0005547 0.43166 19.5266
275 3ZZS TRP 0.00004401 0.45703 20
276 4Q3F TLA 0.00884 0.40854 20.5128
277 2AEB ABH 0.00009594 0.43142 21.4286
278 1NME 159 0.00003139 0.40033 21.7391
279 3TA2 AKG 0.0000774 0.4397 24.5763
280 3TA2 ATP 0.0002985 0.42799 24.5763
281 5DRN 5CT 0.03188 0.41677 25
282 1T0S BML 0.04426 0.40024 25.5814
283 3RF4 FUN 0.0073 0.4154 27.5862
284 1SC3 MLI 0.01318 0.42639 28.6517
285 2XD9 XD9 0.0002409 0.49067 28.7425
286 2BLE 5GP 0.000004471 0.51717 30.5177
Pocket No.: 3; Query (leader) PDB : 4AF0; Ligand: MOA; Similar sites found: 45
This union binding pocket(no: 3) in the query (biounit: 4af0.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YIV NBN 0.006824 0.43374 1.79856
2 3NKT 1HN 0.0003725 0.40071 1.90217
3 3A8U PLP 0.000003153 0.47488 2.00445
4 1BZL FAD 0.02137 0.45894 2.26337
5 1SQ5 ADP 0.003846 0.41259 2.27273
6 1ML4 PAL 0.0001602 0.40941 2.27273
7 2J5S KTA 0.0007383 0.42151 2.28137
8 3JQ3 ADP 0.008327 0.40372 2.45902
9 1RZM E4P 0.02953 0.40346 2.95858
10 2ZI8 SDT 0.0004769 0.41489 3.33333
11 4WVH ASP HIS ASP ALA HIS ALA 0.00631 0.41317 3.37711
12 1JCM 137 0.00007086 0.41388 3.4749
13 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.001663 0.41971 3.52564
14 1NZY BCA 0.001002 0.40323 3.71747
15 1LCP PLU 0.00004743 0.44084 3.71901
16 4M5P 23W 0.03757 0.40381 3.9312
17 1WNG SAH 0.001648 0.40554 4.5283
18 1SS4 GSH 0.00852 0.46749 4.57516
19 3PLN U5P 0.00367 0.42815 4.71698
20 3F6R FMN 0.02639 0.4002 4.72973
21 2Q37 3AL 0.005227 0.42702 4.97238
22 2OWZ F6P 0.002819 0.40511 5.12048
23 1Y9Q MED 0.002786 0.44534 5.20833
24 3BHO B4P 0.03598 0.41742 5.28846
25 4GO7 THR 0.00899 0.40239 5.5
26 2A0W DIH 0.001142 0.4092 5.53633
27 2W3L DRO 0.04723 0.40456 5.55556
28 2RCN GDP 0.002611 0.42391 5.58659
29 3BRE C2E 0.001677 0.4554 5.86592
30 1PS9 NAP 0.04054 0.40088 5.93525
31 1FX8 BOG 0.001428 0.41566 6.65468
32 1Z44 NPO 0.03626 0.4248 6.80473
33 3O03 GCO 0.00002499 0.40773 7.2165
34 2DUA OXL 0.0001396 0.40675 7.24138
35 1JQ5 NAD 0.0001364 0.49777 8.37838
36 1D09 PAL 0.02846 0.40142 8.49673
37 2V5E SCR 0.003771 0.4701 8.91089
38 3CEV ARG 0.01011 0.40469 9.36455
39 1QDS PGA 0.008233 0.40392 10.3586
40 2VAR AMP 0.002718 0.42321 10.5431
41 2VAR ANP 0.001406 0.40413 10.5431
42 1BTN I3P 0.0135 0.45127 11.3208
43 2YLD CMO 0.003168 0.44279 14.1732
44 3CF6 SP1 0.003794 0.40439 16.1677
45 5DS8 GLY 5CT GLY ALA 0.02172 0.41567 26.5766
Pocket No.: 4; Query (leader) PDB : 4AF0; Ligand: IMP; Similar sites found: 98
This union binding pocket(no: 4) in the query (biounit: 4af0.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01405 0.47164 None
2 3SJ0 DXC 0.006996 0.45782 None
3 1WUW TSU 0.02251 0.40073 None
4 2YFT DQR 0.0008824 0.45539 1.07914
5 3ZUY TCH 0.02341 0.40836 1.54799
6 4G87 UD1 0.00005256 0.4046 1.59681
7 3TKA SAM 0.002551 0.42173 1.72911
8 3GM5 CIT 0.011 0.44198 1.88679
9 4J7H TRH 0.005558 0.41259 1.91083
10 4KCF FMN 0.000002594 0.41514 1.98238
11 2OAT PFM 0.01097 0.40789 2.05011
12 1EJE FMN 0.01343 0.40124 2.08333
13 1I0Z OXM 0.01912 0.448 2.1021
14 2OO0 XAP 0.02881 0.40222 2.12314
15 4FR3 0V4 0.0002809 0.4009 2.13675
16 1NHZ 486 0.00584 0.4055 2.14286
17 2P8B NSK 0.0003057 0.41725 2.16802
18 5T63 ALA ALA ALA ALA 0.00022 0.45634 2.17984
19 1RYI GOA 0.002136 0.5259 2.35602
20 1CR1 TTP 0.0000578 0.41672 2.36486
21 3MMR ABH 0.0009837 0.42287 2.42131
22 1CKM GTP 0.005194 0.44171 2.72727
23 3GX0 GDS 0.005236 0.41356 2.7907
24 1H0C AOA 0.003451 0.47344 2.80612
25 1U5R ATP 0.008527 0.41573 2.87356
26 3B9Q MLI 0.02347 0.40505 2.98013
27 3TFC PEP 0.02631 0.41406 3.05755
28 1F1V DHY 0.003949 0.44705 3.09598
29 1UJ2 ADP 0.004286 0.4015 3.1746
30 1B4P GPS 0.004734 0.41864 3.22581
31 4B47 GDP 0.01612 0.411 3.30579
32 2ZJF BSU 0.002855 0.44832 3.31492
33 1TV5 N8E 0.0008906 0.44643 3.386
34 1O0S NAI 0.003275 0.41134 3.41727
35 4C6F NCD 0.004175 0.44113 3.56234
36 4C6F DOR 0.004175 0.44113 3.56234
37 1Y1A GSH 0.03364 0.45011 3.82514
38 3L02 CP 0.0009519 0.4058 3.89972
39 3L02 SN0 0.0009519 0.4058 3.89972
40 2R5T ANP 0.007636 0.40431 4.02145
41 1B5E DCM 0.02279 0.41279 4.06504
42 2BH9 NAP 0.02029 0.40049 4.08998
43 1A4R GNH 0.007445 0.40775 4.18848
44 2BGM NAJ 0.000001317 0.44619 4.31655
45 4DA6 GA2 0.000005436 0.40874 4.34783
46 4E03 ADP 0.01487 0.41276 4.36893
47 3UC5 ATP 0.000006981 0.40031 4.4586
48 2QCX PF1 0.04277 0.40826 4.56274
49 1SS4 GSH 0.001009 0.54697 4.57516
50 4MWV BCZ 0.000009716 0.40349 4.63918
51 3PLN U5P 0.008495 0.43688 4.71698
52 3E81 SLB 0.001997 0.47194 4.87805
53 4Q0A 4OA 0.01177 0.40345 4.96689
54 2ZL4 ALA ALA ALA ALA 0.02663 0.40477 5.10204
55 1Y9Q MED 0.04053 0.41386 5.20833
56 3TI8 LNV 0.0002565 0.40367 5.31646
57 1F9V ADP 0.01179 0.42575 5.4755
58 3I51 45C 0.00443 0.43549 5.55556
59 1FW1 GSH 0.006571 0.42415 5.55556
60 4LTN NAI 0.000003079 0.42849 5.58376
61 1NJR XYL 0.0009128 0.41768 5.6338
62 2BJK NAD 0.000004811 0.41226 5.81395
63 3S9K CIT 0.01319 0.45534 5.9322
64 2VPR TDC 0.02062 0.40021 6.28019
65 4OZJ ADP 0.0007052 0.41822 6.29371
66 1WRA PC 0.008344 0.45392 6.49351
67 4KCT FDP 0.009001 0.42241 6.61323
68 3K0T BGC 0.02333 0.4054 6.99301
69 5AYC BGC BMA 0.003006 0.4111 6.99482
70 2HFK E4H 0.04802 0.40179 7.21003
71 1W7J ADP BEF 0.009954 0.40955 7.28477
72 4WBD ADP 0.02997 0.42548 7.39372
73 3EW2 BTN 0.00698 0.43595 7.40741
74 1ZZ7 S0H 0.03298 0.40947 7.57576
75 3QDT A2G GAL 0.02577 0.43454 7.69231
76 3QDY A2G GAL 0.03162 0.42981 7.69231
77 3E5H GNP 0.001248 0.42262 7.86517
78 1KW6 BPY 0.000001699 0.40575 7.87671
79 1T10 F6P 0.003425 0.46079 8.81295
80 3DUR KDO 0.04096 0.40505 8.92857
81 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.03062 0.41994 8.96226
82 1Q8Q MAN MMA 0.0293 0.40526 9.52381
83 4CCO OGA 0.01716 0.42271 10
84 3K37 BCZ 0.00005488 0.42181 10.0756
85 3IPQ 965 0.0006035 0.41735 10.2473
86 2HT6 GDP 0.005582 0.43423 10.9195
87 1DRV A3D 0.000002652 0.42994 10.989
88 2BOI MFU 0.02644 0.41396 12.3894
89 3MAG 3MA 0.003797 0.49547 13.0293
90 1HYE NAP 0.004838 0.40542 13.4185
91 1VE3 SAM 0.008142 0.4096 13.6564
92 3WSJ MK1 0.00005202 0.40115 13.7931
93 1HE1 AF3 0.03243 0.40013 14.8148
94 1CFV E3G 0.001317 0.41863 15.126
95 1JSH SIA GAL 0.005206 0.40729 17.2414
96 1ULE GLA GAL NAG 0.03534 0.42722 19.3333
97 5DTF 5CT 0.02413 0.43915 25.6522
98 5DS8 GLY 5CT GLY ALA 0.04417 0.42202 26.5766
99 2QN6 GDP 0.0144 0.41348 50
Feedback