Receptor
PDB id Resolution Class Description Source Keywords
1RM0 2.05 Å EC: 5.5.1.4 CRYSTAL STRUCTURE OF MYO-INOSITOL 1-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE IN COMPLEX WITH NAD+ AND 2-DEOXY-D6 -(E)-VINYLHOMOPHOSPHONATE SACCHAROMYCES CEREVISIAE MYO-INOSITOL 1-PHOSPHATE SYNTHASE ISOMERASE
Ref.: THE STRUCTURE OF THE 1L-MYO-INOSITOL-1-PHOSPHATE SYNTHASE-NAD+-2-DEOXY-D-GLUCITOL 6-(E)-VINYLHOMOPHO COMPLEX DEMANDS A REVISION OF THE ENZYME MECHANISM. J.BIOL.CHEM. V. 279 13889 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D6P A:1520;
 Valid;
 none;
 Ki = 0.67 uM
242.164 C7 H15 O7 P C(CO)...
MN A:630;
 Part of Protein;
 none;
 submit data
54.938 Mn [Mn+2...
NAI A:650;
B:660;
 Valid;
Valid;
 none;
none;
 submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RM0 2.05 Å EC: 5.5.1.4 CRYSTAL STRUCTURE OF MYO-INOSITOL 1-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE IN COMPLEX WITH NAD+ AND 2-DEOXY-D6 -(E)-VINYLHOMOPHOSPHONATE SACCHAROMYCES CEREVISIAE MYO-INOSITOL 1-PHOSPHATE SYNTHASE ISOMERASE
Ref.: THE STRUCTURE OF THE 1L-MYO-INOSITOL-1-PHOSPHATE SYNTHASE-NAD+-2-DEOXY-D-GLUCITOL 6-(E)-VINYLHOMOPHO COMPLEX DEMANDS A REVISION OF THE ENZYME MECHANISM. J.BIOL.CHEM. V. 279 13889 2004
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1P1K - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 1P1I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1P1H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1RM0 Ki = 0.67 uM D6P C7 H15 O7 P C(CO)[C@H]....
5 1P1J - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
6 1JKI Ki = 6 uM DG6 C6 H15 O8 P C(CO)[C@H]....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1P1K - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 1P1I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1P1H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1RM0 Ki = 0.67 uM D6P C7 H15 O7 P C(CO)[C@H]....
5 1P1J - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
6 1JKI Ki = 6 uM DG6 C6 H15 O8 P C(CO)[C@H]....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VKO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1P1K - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 1P1I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1P1H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1RM0 Ki = 0.67 uM D6P C7 H15 O7 P C(CO)[C@H]....
6 1P1J - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
7 1JKI Ki = 6 uM DG6 C6 H15 O8 P C(CO)[C@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: D6P; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 D6P 1 1
Ligand no: 2; Ligand: NAI; Similar ligands found: 249
No: Ligand ECFP6 Tc MDL keys Tc
1 NAI 1 1
2 0WD 0.814815 0.986842
3 NDP 0.803738 0.986842
4 AP0 0.743119 0.961039
5 NMN AMP PO4 0.704348 0.960526
6 NAX 0.663717 0.961538
7 A2D 0.659574 0.933333
8 6V0 0.649123 0.986842
9 TXE 0.62931 0.948052
10 BA3 0.628866 0.933333
11 AP5 0.622449 0.933333
12 B4P 0.622449 0.933333
13 TXD 0.62069 0.923077
14 APR 0.613861 0.907895
15 AR6 0.613861 0.907895
16 EAD 0.609375 0.961538
17 AGS 0.607843 0.8625
18 SAP 0.607843 0.8625
19 ADP 0.606061 0.907895
20 ATP 0.60396 0.907895
21 50T 0.60396 0.871795
22 AN2 0.6 0.896104
23 A22 0.598131 0.921053
24 5FA 0.598039 0.907895
25 AQP 0.598039 0.907895
26 CA0 0.594059 0.909091
27 M33 0.594059 0.896104
28 AD9 0.592233 0.884615
29 NAJ PZO 0.592 0.935897
30 P1H 0.590909 0.9375
31 ACP 0.588235 0.884615
32 A1R 0.587156 0.851852
33 4AD 0.587156 0.886076
34 PRX 0.582524 0.8375
35 ANP 0.580952 0.884615
36 3OD 0.580357 0.909091
37 SRP 0.579439 0.873418
38 ADX 0.578431 0.821429
39 OAD 0.576577 0.909091
40 5AL 0.575472 0.896104
41 ADJ 0.569106 0.890244
42 UP5 0.566667 0.960526
43 ACQ 0.566038 0.884615
44 AMP 0.561224 0.881579
45 A 0.561224 0.881579
46 ATF 0.555556 0.873418
47 8QN 0.54955 0.896104
48 25L 0.547826 0.921053
49 4TC 0.544715 0.935897
50 ADQ 0.544643 0.909091
51 PAJ 0.544643 0.853659
52 AMO 0.544643 0.897436
53 ABM 0.544554 0.858974
54 NPW 0.544 0.949367
55 WAQ 0.54386 0.851852
56 PR8 0.54386 0.821429
57 LAD 0.54386 0.831325
58 DG1 0.541353 0.986842
59 1DG 0.541353 0.986842
60 00A 0.539823 0.875
61 NZQ 0.539683 0.974026
62 1ZZ 0.53913 0.811765
63 BIS 0.53913 0.851852
64 APC 0.537736 0.873418
65 OMR 0.536585 0.823529
66 5SV 0.535714 0.797619
67 OOB 0.535714 0.921053
68 25A 0.535714 0.907895
69 3UK 0.535088 0.909091
70 AMP MG 0.534653 0.835443
71 AP2 0.533981 0.873418
72 A12 0.533981 0.873418
73 NXX 0.528455 0.922078
74 DND 0.528455 0.922078
75 CNA 0.527559 0.922078
76 AHX 0.526316 0.864198
77 DLL 0.526316 0.921053
78 FYA 0.525862 0.871795
79 NB8 0.525862 0.864198
80 ME8 0.525862 0.811765
81 PTJ 0.525862 0.841463
82 YAP 0.525424 0.886076
83 SRA 0.524752 0.8375
84 SON 0.52381 0.873418
85 TAT 0.522936 0.873418
86 VO4 ADP 0.522523 0.871795
87 ADP VO4 0.522523 0.871795
88 48N 0.520325 0.864198
89 YLP 0.520325 0.793103
90 YLB 0.52 0.793103
91 AU1 0.518868 0.884615
92 ADP MG 0.518868 0.848101
93 ADP PO3 0.518519 0.881579
94 9SN 0.516949 0.864198
95 BEF ADP 0.514019 0.82716
96 ADP BEF 0.514019 0.82716
97 ATP MG 0.513761 0.848101
98 TXA 0.512821 0.897436
99 FA5 0.512605 0.897436
100 GAP 0.509091 0.860759
101 4UU 0.508197 0.960526
102 YLC 0.507937 0.833333
103 T5A 0.507812 0.925926
104 RBY 0.504587 0.873418
105 ADV 0.504587 0.873418
106 4UW 0.504 0.924051
107 TXP 0.503876 0.911392
108 DAL AMP 0.5 0.871795
109 ALF ADP 0.5 0.817073
110 G3A 0.5 0.8875
111 TYM 0.5 0.897436
112 ADP ALF 0.5 0.817073
113 LAQ 0.5 0.811765
114 COD 0.496183 0.786517
115 YLA 0.496124 0.813953
116 139 0.496124 0.9125
117 AFH 0.495935 0.853659
118 G5P 0.495935 0.8875
119 XAH 0.495868 0.811765
120 ANP MG 0.495575 0.839506
121 BT5 0.492424 0.784091
122 AYB 0.492308 0.784091
123 A4P 0.492188 0.880952
124 GTA 0.491935 0.855422
125 4UV 0.491803 0.960526
126 A2R 0.491228 0.896104
127 MAP 0.486957 0.8625
128 XNP 0.484848 0.936709
129 NAD 0.484848 0.921053
130 UPA 0.484375 0.948052
131 7MD 0.483871 0.833333
132 MYR AMP 0.483333 0.790698
133 NA7 0.483051 0.873418
134 YLY 0.477941 0.784091
135 ATR 0.477477 0.881579
136 LA8 ALF 3PG 0.476562 0.809524
137 ALF ADP 3PG 0.476562 0.809524
138 AOC 0.47619 0.792208
139 ATP A A A 0.47541 0.894737
140 BTX 0.473684 0.793103
141 5AS 0.472222 0.736264
142 TYR AMP 0.471545 0.873418
143 NAQ 0.471014 0.864198
144 ADP BMA 0.470588 0.884615
145 N0B 0.467626 0.835294
146 A A 0.466667 0.883117
147 A3D 0.466667 0.909091
148 NJP 0.466165 0.910256
149 IOT 0.465649 0.784091
150 AF3 ADP 3PG 0.465116 0.809524
151 PAP 0.464286 0.894737
152 NAE 0.463768 0.886076
153 7MC 0.461538 0.813953
154 DZD 0.459259 0.876543
155 ZID 0.457143 0.909091
156 TAD 0.456693 0.853659
157 2A5 0.455357 0.8375
158 62F 0.453947 0.833333
159 AHZ 0.453125 0.790698
160 FB0 0.452055 0.76087
161 JB6 0.45082 0.851852
162 ITT 0.45045 0.857143
163 7D4 0.45045 0.825
164 LPA AMP 0.449612 0.790698
165 G5A 0.447368 0.755556
166 M24 0.446043 0.843373
167 AVV 0.445378 0.841463
168 NAD IBO 0.444444 0.8625
169 NDC 0.442177 0.864198
170 ARG AMP 0.44186 0.781609
171 NSS 0.441667 0.775281
172 4TA 0.441176 0.890244
173 VMS 0.440678 0.764045
174 54H 0.440678 0.764045
175 7D3 0.440367 0.825
176 5CD 0.44 0.753247
177 PPS 0.439655 0.8
178 RAB 0.438776 0.789474
179 ADN 0.438776 0.789474
180 XYA 0.438776 0.789474
181 NDE 0.438356 0.897436
182 AR6 AR6 0.4375 0.883117
183 TSB 0.436975 0.793103
184 53H 0.436975 0.755556
185 DTA 0.436893 0.759494
186 A3P 0.436364 0.881579
187 A2P 0.436364 0.868421
188 A5A 0.435897 0.781609
189 FNK 0.435065 0.840909
190 ODP 0.433824 0.924051
191 SFG 0.433628 0.725
192 Z5A 0.433566 0.858824
193 6FA 0.433333 0.835294
194 SSA 0.432203 0.775281
195 J7C 0.431193 0.702381
196 DTP 0.431034 0.825
197 P5A 0.430894 0.723404
198 5N5 0.43 0.766234
199 DSZ 0.429752 0.775281
200 LSS 0.429752 0.73913
201 NAJ PYZ 0.429577 0.843373
202 52H 0.428571 0.755556
203 SFD 0.427632 0.731959
204 6AD 0.42735 0.831325
205 EP4 0.427184 0.707317
206 FDA 0.426667 0.870588
207 ARU 0.42623 0.788235
208 NVA LMS 0.42623 0.73913
209 6RE 0.425926 0.694118
210 A4D 0.425743 0.766234
211 5CA 0.425 0.775281
212 3DH 0.424528 0.725
213 AV2 0.423729 0.835443
214 LEU LMS 0.422764 0.73913
215 AMP DBH 0.421875 0.860759
216 DAT 0.421053 0.825
217 5X8 0.421053 0.7375
218 GSU 0.419355 0.755556
219 MTA 0.419048 0.725
220 3AT 0.418803 0.883117
221 DCA 0.41844 0.777778
222 ETB 0.41844 0.786517
223 FAS 0.418301 0.845238
224 FAD 0.418301 0.845238
225 A3N 0.418182 0.759494
226 F2N 0.417178 0.850575
227 7D5 0.415094 0.8
228 A U 0.414815 0.910256
229 YSA 0.414062 0.775281
230 NAD BBN 0.412903 0.835294
231 0T1 0.412587 0.777778
232 2AM 0.411215 0.857143
233 M2T 0.409524 0.690476
234 KAA 0.408 0.731183
235 7C5 0.407692 0.790123
236 3AM 0.407407 0.844156
237 AMP NAD 0.406897 0.873418
238 NAP 0.406897 0.909091
239 PUA 0.405594 0.9
240 FAY 0.405063 0.855422
241 P5F 0.404908 0.83908
242 EEM 0.403361 0.670455
243 COA 0.402778 0.777778
244 RFL 0.402516 0.816092
245 GJV 0.401786 0.686047
246 SA8 0.401709 0.686047
247 U A C C 0.401408 0.898734
248 G A A A 0.4 0.841463
249 WSA 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RM0; Ligand: D6P; Similar sites found: 218
This union binding pocket(no: 1) in the query (biounit: 1rm0.bio1) has 49 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1V6A TRE 0.0004579 0.53215 1.20482
2 1K3T BRZ 0.0000541 0.40488 1.39276
3 3OND NAD 0.0001858 0.42207 1.43443
4 1U8X NAD 0.0002648 0.47392 1.48305
5 2QA1 FAD 0.001686 0.41919 1.6
6 2BH9 NAP 0.0003436 0.50636 1.63599
7 2X3J ATP 0.02045 0.40887 1.68856
8 1SC6 NAD 0.00002586 0.41222 1.73267
9 1R6D NAD 0.0005524 0.41259 1.78042
10 1R6D DAU 0.0006535 0.40938 1.78042
11 2NAD NAD 0.00006114 0.40885 1.78117
12 4B63 ORN 0.0003054 0.42433 1.79641
13 4B63 FAD 0.0003054 0.42433 1.79641
14 4B63 NAP 0.0004292 0.42115 1.79641
15 2CVQ NDP 0.000004288 0.41899 1.83486
16 3WQQ NDP 0.000246 0.4062 1.84426
17 1UXG NAD 0.00003256 0.42502 1.94175
18 1BW9 NAD 0.00003387 0.52943 1.96629
19 1BXG NAD 0.000007823 0.40332 1.96629
20 1C1X NAD 0.000007156 0.54014 1.97183
21 3GFB NAD 0.00002674 0.51184 2
22 1X7D ORN 0.00004842 0.41685 2
23 1UWK URO 0.0005287 0.40437 2.06379
24 1NPD NAD 0.00351 0.43216 2.08333
25 3PLN U5P 0.01545 0.42562 2.12264
26 1RRV TYD 0.03876 0.40101 2.16346
27 1LDN NAD 0.00002191 0.4093 2.21519
28 1L8N GCW 0.0009569 0.43093 2.25141
29 1GV0 NAD 0.00002434 0.40609 2.25806
30 2AHR NAP 0.004467 0.41212 2.3166
31 4PQG UDP 0.0113 0.42104 2.34834
32 1JQ3 AAT 0.001717 0.4236 2.36486
33 1K97 CIR 0.0002074 0.40818 2.41758
34 1K97 ASP 0.0002074 0.40818 2.41758
35 1Y8Q ATP 0.001724 0.44566 2.43902
36 2GJN NIS 0.001832 0.40889 2.43902
37 2GJN FMN 0.004954 0.40024 2.43902
38 1T26 NAI 0.00002063 0.4406 2.48447
39 1T26 GBD 0.0002363 0.4128 2.48447
40 1BDB NAD 0.0007609 0.43721 2.52708
41 3HAD NAD 0.001049 0.40019 2.5974
42 3ZPG 5GP 0.001105 0.51678 2.6178
43 3ORQ ADP 0.01313 0.41797 2.65252
44 1E3I CXF 0.0001228 0.45885 2.65957
45 1Z44 NPO 0.03446 0.44893 2.66272
46 1Z44 FMN 0.007461 0.42269 2.66272
47 4DEM YS4 0.00005973 0.42144 2.66667
48 2GSD NAD 0.00004773 0.41151 2.73632
49 1KOL NAD 0.00006721 0.41231 2.76382
50 4DPL NAP 0.0006636 0.44786 2.78552
51 1KPG SAH 0.01566 0.4088 2.78746
52 1RKX NAD 0.001014 0.43768 2.80112
53 2I3G NAP 0.0003811 0.45454 2.84091
54 3MAG 3MA 0.005249 0.48828 2.9316
55 3MAG SAH 0.000537 0.4515 2.9316
56 1XDS SAM 0.03354 0.41017 2.94118
57 3FZG SAM 0.004991 0.44852 3
58 1M2W NAD 0.008792 0.41739 3.0426
59 1QMG APX 0.001854 0.44748 3.05344
60 2Z9V PXM 0.003419 0.48013 3.06122
61 1V8B NAD 0.0001551 0.40235 3.13152
62 3LST SAH 0.04682 0.40266 3.16092
63 3O9Z AKG 0.0002355 0.42901 3.20513
64 3O9Z NAD 0.0002378 0.4267 3.20513
65 2F2U M77 0.002379 0.45265 3.23383
66 4B7X NAP 0.001337 0.42779 3.27381
67 4PLG NAI 0.00003333 0.42177 3.29341
68 4BJZ P3A 0.00004308 0.41904 3.30189
69 4BJZ FAD 0.00004308 0.41904 3.30189
70 1Y42 TYR 0.001497 0.47261 3.31633
71 1CER NAD 0.00007449 0.49718 3.32326
72 1LDM NAD 0.0001073 0.47972 3.34347
73 1HKU NAD 0.00005001 0.48951 3.35196
74 3HB5 E2B 0.000582 0.43489 3.36391
75 3FPZ AHZ 0.00001075 0.43819 3.37423
76 2Z9I GLY ALA THR VAL 0.03267 0.41526 3.39506
77 2RHQ GAX 0.002404 0.42016 3.40136
78 4F8L GAL 0.01852 0.46521 3.44828
79 1OC2 NAD 0.001262 0.40279 3.44828
80 3I6I NDP 0.003025 0.40347 3.46821
81 2YGM GLA NAG GAL FUC 0.009903 0.44968 3.67232
82 1Q7B NAP 0.003777 0.41743 3.68852
83 4E28 9MZ 0.01504 0.43605 3.69231
84 4E28 0MZ 0.01729 0.42801 3.69231
85 1D7O TCL 0.0002455 0.40639 3.7037
86 2WA4 069 0.02897 0.4168 3.72493
87 1WDA BAG 0.01454 0.42239 3.75235
88 4ASJ N6A 0.004476 0.40745 3.75427
89 2DC1 NAD 0.00001213 0.40226 3.81356
90 3GGO NAI 0.00009743 0.41939 3.82166
91 2IXB NAD 0.0002993 0.4587 3.82883
92 2IXB A2G 0.0003645 0.43641 3.82883
93 1GEE NAD 0.002372 0.42557 3.83142
94 1E6W NAD 0.0004889 0.4532 3.84615
95 1J49 NAD 0.00002086 0.4023 3.9039
96 2B5W NAP 0.001496 0.42113 3.92157
97 3SJU NDP 0.001851 0.42731 3.94265
98 1SOW NAD 0.00001764 0.41417 3.96341
99 2VHW NAI 0.00001591 0.42777 3.97878
100 2PP3 LGT 0.001805 0.44823 4.0201
101 4COQ SAN 0.0002696 0.52214 4.04858
102 2VDV SAM 0.0166 0.42588 4.06504
103 2CJE DUN 0.004004 0.41877 4.10448
104 1UDB UFG 0.000007318 0.42095 4.14201
105 1UDB NAD 0.0003028 0.41906 4.14201
106 1PEA ACM 0.001484 0.50094 4.15584
107 1SJW NGV 0.003694 0.43124 4.16667
108 4GKV NAD 0.0000681 0.40303 4.16667
109 3WMX NAD 0.00001576 0.40728 4.18994
110 4MDH NAD 0.00002013 0.51697 4.19162
111 4TX6 38B 0.02715 0.4149 4.19355
112 1DXY NAD 0.000009104 0.40315 4.2042
113 5MDH NAD 0.00001751 0.40076 4.2042
114 2RL1 UD1 0.003181 0.4067 4.24528
115 4OYA 1VE 0.0003637 0.41023 4.25532
116 2OX9 GAL NAG FUC 0.01738 0.43113 4.28571
117 1GEG NAD 0.0001881 0.46991 4.29688
118 5JE8 NAD 0.004871 0.45157 4.30464
119 2JAP NDP 0.00143 0.43176 4.3152
120 2A92 NAI 0.00005735 0.40148 4.36137
121 3UU7 2OH 0.02273 0.43549 4.38247
122 1LTH NAD 0.000009105 0.40511 4.38871
123 1SAY PYR 0.00003903 0.41278 4.43213
124 2Q1S NAI 0.0002606 0.40849 4.50928
125 1GUZ NAD 0.00002447 0.40188 4.51613
126 1HYH NAD 0.000009753 0.41773 4.53074
127 2PR5 FMN 0.0009972 0.44547 4.54545
128 1SS4 GSH 0.004529 0.50179 4.57516
129 1SS4 CIT 0.007028 0.45182 4.57516
130 1N9L FMN 0.0006002 0.45394 4.58716
131 4FFS BIG 0.002055 0.4193 4.60251
132 1IA9 ANP 0.004064 0.44544 4.64286
133 3ABI NAD 0.00001602 0.51297 4.65753
134 2JJQ SAH 0.01073 0.43556 4.70588
135 3OA2 NAD 0.00001191 0.52222 4.71698
136 4MP8 MLI 0.00000003934 0.45127 4.71976
137 4MP8 NAD 0.0001947 0.40204 4.71976
138 2O4C NAD 0.00003194 0.40566 4.73684
139 2NCD ADP 0.00605 0.44986 4.7619
140 1RPN NDP 0.001867 0.41529 4.77612
141 1ZMD NAI 0.00156 0.44441 4.85232
142 4NEC SAH 0.02611 0.41255 4.92424
143 3JV7 NAD 0.0001198 0.47779 4.92754
144 1I2B UPG 0.000002574 0.43445 4.9505
145 1I2B USQ 0.000002574 0.43445 4.9505
146 1I2B NAD 0.0003899 0.41829 4.9505
147 4Q0A 4OA 0.0004561 0.45852 4.96689
148 1ME8 RVP 0.000221 0.40621 4.97018
149 4PNI KQQ 0.0008293 0.42963 4.99109
150 4J4H NAI 0.0005152 0.40615 5.01931
151 4J4H 1J1 0.0003537 0.40556 5.01931
152 2GZ3 NAP 0.00007123 0.43688 5.25328
153 2C5A NAD 0.0008734 0.40625 5.27704
154 1EBF NAD 0.000003604 0.40653 5.30726
155 5DOZ NDP 0.03918 0.40099 5.32544
156 3BAZ NAP 0.00009949 0.49574 5.40541
157 1SJD NPG 0.001206 0.42406 5.43478
158 1VL8 NAP 0.0005364 0.44306 5.61798
159 1MXI SAH 0.001061 0.44444 5.625
160 2IVD FAD 0.003461 0.4054 5.64854
161 1SB8 UD2 0.0007936 0.4067 5.68182
162 1C1L GAL BGC 0.02215 0.43301 5.83942
163 3JQF NAP 0.002942 0.4218 5.90278
164 3JQA NAP 0.005697 0.41505 5.90278
165 3S9K CIT 0.003562 0.51963 5.9322
166 3G2O SAM 0.01054 0.42559 6.02007
167 2F1K NAP 0.0002991 0.47168 6.09319
168 1EJE FMN 0.00862 0.40946 6.25
169 3B9Q MLI 0.009857 0.45451 6.29139
170 4PLT NAI 0.00007588 0.4186 6.34441
171 4PLT OXM 0.0001494 0.41528 6.34441
172 2VZ6 FEF 0.03782 0.41069 6.38978
173 1NVM NAD 0.00003778 0.40741 6.41026
174 3AIH BMA MAN MAN 0.04562 0.4083 6.45161
175 1G8S MET 0.002479 0.47471 6.52174
176 1KEV NDP 0.00006872 0.40496 6.55271
177 1VM6 NAD 0.000008744 0.40035 6.57895
178 3A28 NAD 0.0004206 0.45583 6.58915
179 1W7J ADP BEF 0.005701 0.41991 6.62252
180 2PV7 NAD 0.00002362 0.4009 6.71141
181 3GDH SAH 0.01643 0.40277 7.05394
182 4DS8 A8S 0.03355 0.41017 7.17703
183 3JUC PCA 0.01007 0.45256 7.18954
184 2YY7 NAD 0.00001179 0.4149 7.37179
185 2QLX RM4 0.002667 0.48 7.40741
186 1TB4 PEJ 0.001628 0.43216 7.54717
187 3F81 STT 0.009273 0.46609 7.65027
188 3SHR CMP 0.000809 0.47311 7.69231
189 2NXE SAM 0.003604 0.44794 7.87402
190 1J5P NAD 0.000002041 0.42216 7.90514
191 1GZ6 NAI 0.000284 0.4596 8.46395
192 2DT5 NAD 0.00001188 0.52227 8.53081
193 1TV5 ORO 0.002906 0.43342 8.57788
194 1TV5 A26 0.04575 0.40963 8.57788
195 1V7R CIT 0.01963 0.45542 8.60215
196 3DGB MUC 0.0003957 0.48092 8.63039
197 4IXW IXW 0.006032 0.43963 8.66142
198 2FK8 SAM 0.01774 0.409 8.80503
199 2AE2 PTO 0.000001132 0.42546 8.84615
200 9LDB NAD 0.00002279 0.40768 9.03614
201 9LDT NAD 0.00002747 0.40553 9.03614
202 3A2Y TS5 0.002352 0.43506 9.13706
203 2E1A MSE 0.0007158 0.48123 9.33333
204 1HDR NAD 0.0007706 0.4044 9.42623
205 4ORR PE3 0.00346 0.40547 10
206 4F4S EFO 0.004795 0.44921 10.5263
207 1ZEM NAD 0.000004707 0.41089 10.687
208 2Q37 3AL 0.005556 0.45162 11.0497
209 3OFK SAH 0.01415 0.42261 11.1111
210 3A4V NAD 0.00002998 0.42093 11.3565
211 1EK6 UPG 0.001392 0.40143 12.069
212 2O4J VD4 0.001003 0.42035 12.3288
213 1HDG NAD 0.00006054 0.505 12.6506
214 1PZG A3D 0.0001295 0.45522 12.6888
215 2ZO9 MLI 0.01602 0.41442 13.5036
216 4E5N NAD 0.000009785 0.41751 13.9394
217 2GCG NDP 0.00002664 0.40334 14.8485
218 1U1I NAD 0.000000000004538 0.59832 35.7143
Pocket No.: 2; Query (leader) PDB : 1RM0; Ligand: NAI; 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: 1rm0.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1RM0; Ligand: NAI; Similar sites found: 269
This union binding pocket(no: 3) in the query (biounit: 1rm0.bio1) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2IU8 UD1 0.02243 0.41042 1.06952
2 1V6A TRE 0.000312 0.53867 1.20482
3 1K3T BRZ 0.00007409 0.41011 1.39276
4 3OND NAD 0.00007326 0.44232 1.43443
5 1U8X NAD 0.0001935 0.47657 1.48305
6 2QA1 FAD 0.0007479 0.4295 1.6
7 2BH9 NAP 0.000471 0.49659 1.63599
8 1SC6 NAD 0.000004896 0.4412 1.73267
9 1LLU NAD 0.0001581 0.40136 1.75439
10 1R6D NAD 0.0004911 0.42009 1.78042
11 1R6D DAU 0.0005879 0.41662 1.78042
12 2NAD NAD 0.00005922 0.41822 1.78117
13 4B63 ORN 0.0003157 0.43005 1.79641
14 4B63 FAD 0.0003157 0.43005 1.79641
15 4B63 NAP 0.0003389 0.43 1.79641
16 1M9H NAD 0.001123 0.4129 1.79856
17 2HJR APR 0.000004993 0.40889 1.82927
18 2CVQ NDP 0.000001873 0.43881 1.83486
19 2FR1 NDP 0.00009561 0.40479 1.85185
20 2IMP NAI 0.0003964 0.40602 1.87891
21 1UXG NAD 0.00003329 0.43488 1.94175
22 1BW9 NAD 0.00001422 0.54295 1.96629
23 1BXG NAD 0.000004117 0.42122 1.96629
24 1C1X NAD 0.000003445 0.54981 1.97183
25 3GFB NAD 0.00002975 0.50652 2
26 1X7D ORN 0.00007167 0.42124 2
27 1X7D NAD 0.00003212 0.40568 2
28 4XYB NDP 0.018 0.40615 2.04604
29 1UWK URO 0.0004972 0.41329 2.06379
30 1NPD NAD 0.002221 0.43813 2.08333
31 3M89 GSP 0.03005 0.41367 2.10773
32 3PLN U5P 0.02499 0.41353 2.12264
33 1OMO NAD 0.00001443 0.40308 2.17391
34 1LDN NAD 0.00001378 0.42453 2.21519
35 4ITU 1HS 0.0005368 0.40667 2.23048
36 1L8N GCW 0.004656 0.40425 2.25141
37 1GV0 NAD 0.00001614 0.42036 2.25806
38 2AHR NAP 0.004471 0.4095 2.3166
39 1JQ3 AAT 0.001491 0.42319 2.36486
40 2Q1W NAD 0.000106 0.40119 2.4024
41 1Y8Q ATP 0.001288 0.44839 2.43902
42 5A2J ALA PRO ASP THR ARG PRO 0.02668 0.43522 2.45902
43 1T26 NAI 0.000008248 0.46323 2.48447
44 1T26 GBD 0.0001208 0.42677 2.48447
45 1DLJ NAI 0.0009555 0.4079 2.48756
46 3ZV6 NAD 0.0006645 0.40197 2.4911
47 3ZV6 4HB 0.0008063 0.40114 2.4911
48 4G1V FAD 0.0008756 0.40454 2.50627
49 1BDB NAD 0.0003331 0.44801 2.52708
50 3HAD NAD 0.0008832 0.4081 2.5974
51 1YJQ NAP 0.0001445 0.40259 2.64026
52 1E3I CXF 0.0001677 0.45074 2.65957
53 1Z44 NPO 0.0145 0.4692 2.66272
54 1Z44 FMN 0.005534 0.4255 2.66272
55 4DEM YS4 0.0003687 0.40808 2.66667
56 1U3U BNF 0.0007933 0.40139 2.6738
57 2DBZ NAP 0.00002542 0.40917 2.69461
58 2GSD NAD 0.00004901 0.42032 2.73632
59 1KOL NAD 0.00007007 0.42135 2.76382
60 4DPL NAP 0.0001116 0.47585 2.78552
61 1KPG SAH 0.01307 0.40994 2.78746
62 1RKX NAD 0.0003385 0.45357 2.80112
63 2I3G NAP 0.0001981 0.46271 2.84091
64 4I4Z 2NE 0.001772 0.40111 2.90909
65 3MAG 3MA 0.003421 0.49627 2.9316
66 3MAG SAH 0.0003591 0.45505 2.9316
67 1XDS SAM 0.03212 0.40885 2.94118
68 3FZG SAM 0.002945 0.45727 3
69 1M2W NAD 0.01766 0.40147 3.0426
70 1QMG APX 0.00131 0.45139 3.05344
71 2Z9V PXM 0.004659 0.44719 3.06122
72 1V8B NAD 0.00005253 0.42229 3.13152
73 3LST SAH 0.03777 0.40524 3.16092
74 1ORR NAD 0.00003583 0.41702 3.17003
75 3O9Z NAD 0.0001753 0.4279 3.20513
76 3O9Z AKG 0.0002695 0.42403 3.20513
77 2F2U M77 0.0032 0.44437 3.23383
78 4B7X NAP 0.001626 0.42175 3.27381
79 4PLG NAI 0.00001494 0.44137 3.29341
80 3CMC NAD 0.001049 0.41764 3.29341
81 4PLG OXM 0.000009534 0.40689 3.29341
82 4BJZ FAD 0.00002222 0.43342 3.30189
83 1Y42 TYR 0.002249 0.46172 3.31633
84 1CER NAD 0.00002514 0.51368 3.32326
85 3GD4 NAD 0.004462 0.40041 3.32681
86 1LDM NAD 0.00005726 0.48741 3.34347
87 1HKU NAD 0.00001912 0.50259 3.35196
88 3HB5 E2B 0.00127 0.42049 3.36391
89 3FPZ AHZ 0.000003495 0.45858 3.37423
90 2RHQ GAX 0.0004859 0.44208 3.40136
91 4F8L GAL 0.03 0.45027 3.44828
92 1OC2 NAD 0.001021 0.41124 3.44828
93 1U7T TDT 0.0003301 0.41051 3.44828
94 3I6I NDP 0.002267 0.40526 3.46821
95 1I0Z NAI 0.00002919 0.41316 3.6036
96 1Q7B NAP 0.004328 0.41243 3.68852
97 1D7O TCL 0.00003025 0.43603 3.7037
98 2WA4 069 0.02128 0.42148 3.72493
99 1WDA BAG 0.005349 0.4394 3.75235
100 3EB9 FLC 0.03633 0.40934 3.7594
101 1GY8 NAD 0.00004836 0.40858 3.77834
102 2DC1 NAD 0.000003741 0.42552 3.81356
103 2J5V PCA 0.04571 0.41111 3.81471
104 3GGO NAI 0.0001099 0.42722 3.82166
105 2IXB NAD 0.0002554 0.45837 3.82883
106 2IXB A2G 0.0003386 0.43455 3.82883
107 1GEE NAD 0.001018 0.43753 3.83142
108 1E6W NAD 0.0003205 0.45757 3.84615
109 3LU1 NAD 0.00005197 0.40672 3.84615
110 4HXY NDP 0.00009969 0.40146 3.88128
111 3T31 DCQ 0.001053 0.4116 3.89016
112 3T31 FAD 0.0009624 0.41126 3.89016
113 1J49 NAD 0.00001185 0.41962 3.9039
114 2G5C NAD 0.00005981 0.4024 3.91459
115 2B5W NAP 0.001816 0.41524 3.92157
116 2PZM NAD 0.0005753 0.40715 3.93939
117 3SJU NDP 0.0007231 0.44061 3.94265
118 1SOW NAD 0.000007878 0.43345 3.96341
119 2VHW NAI 0.00001375 0.43953 3.97878
120 3ORF NAD 0.00005707 0.40038 3.98406
121 2PP3 LGT 0.001568 0.44798 4.0201
122 1R37 NAD 0.0001171 0.40499 4.03458
123 4COQ SAN 0.007186 0.44939 4.04858
124 2VDV SAM 0.01849 0.42109 4.06504
125 1EZ4 NAD 0.00002023 0.40475 4.08805
126 3QJ4 FAD 0.002429 0.40419 4.09357
127 2CJE DUN 0.004828 0.41313 4.10448
128 5VN0 NAI 0.02846 0.41091 4.12758
129 2CHN NGT 0.04486 0.40139 4.12758
130 1UDB UFG 0.000002926 0.43838 4.14201
131 1UDB NAD 0.000205 0.43076 4.14201
132 4L8V NAP 0.00003942 0.40595 4.1543
133 1PEA ACM 0.004088 0.4751 4.15584
134 4GKV NAD 0.00002754 0.42292 4.16667
135 1SJW NGV 0.0148 0.40443 4.16667
136 3WMX NAD 0.00001008 0.41218 4.18994
137 4MDH NAD 0.00003018 0.50627 4.19162
138 4TX6 38B 0.03608 0.40626 4.19355
139 1DXY NAD 0.000003261 0.42634 4.2042
140 5MDH NAD 0.00002587 0.40573 4.2042
141 2RL1 UD1 0.002217 0.40925 4.24528
142 4OYA 1VE 0.001226 0.40217 4.25532
143 1GEG NAD 0.0001115 0.47585 4.29688
144 5JE8 NAD 0.005482 0.45218 4.30464
145 2JAP NDP 0.0009385 0.43616 4.3152
146 2A92 NAI 0.00002259 0.4218 4.36137
147 1LTH NAD 0.000009537 0.4082 4.38871
148 3B1J NAD 0.00004114 0.40813 4.42478
149 1SAY PYR 0.00003572 0.42329 4.43213
150 2Q1S NAI 0.00009622 0.43178 4.50928
151 1GUZ NAD 0.00001444 0.41753 4.51613
152 1HYH NAD 0.000005501 0.43619 4.53074
153 2PR5 FMN 0.002211 0.42948 4.54545
154 1SS4 GSH 0.0004014 0.56795 4.57516
155 1SS4 CIT 0.04097 0.45772 4.57516
156 1N9L FMN 0.001332 0.43786 4.58716
157 4FFS BIG 0.005256 0.40242 4.60251
158 3ABI NAD 0.00002034 0.50534 4.65753
159 2WSB NAD 0.0002922 0.41003 4.69043
160 2JJQ SAH 0.01076 0.43303 4.70588
161 3OA2 NAD 0.00001199 0.51857 4.71698
162 4MP8 MLI 0.00000007186 0.45544 4.71976
163 4MP8 NAD 0.0001998 0.41052 4.71976
164 2O4C NAD 0.00001867 0.42188 4.73684
165 2NCD ADP 0.00467 0.45263 4.7619
166 1RPN NDP 0.0004532 0.43499 4.77612
167 1ZMD NAI 0.000459 0.46427 4.85232
168 4NEC SAH 0.03078 0.40665 4.92424
169 3JV7 NAD 0.00005183 0.48913 4.92754
170 1I2B UPG 0.0000004477 0.46117 4.9505
171 1I2B USQ 0.0000004477 0.46117 4.9505
172 1I2B NAD 0.0001551 0.43757 4.9505
173 4Q0A 4OA 0.0003455 0.46013 4.96689
174 1KEW NAD 0.001161 0.40601 4.98615
175 4J4H NAI 0.0002284 0.42524 5.01931
176 4J4H 1J1 0.0001889 0.42258 5.01931
177 4JK3 NAD 0.00001192 0.41071 5.01931
178 1ZK4 AC0 0.00015 0.41681 5.17928
179 2GZ3 NAP 0.00004274 0.45102 5.25328
180 2C5A NAD 0.0005228 0.41919 5.27704
181 3CIF G3H 0.0002308 0.40383 5.29248
182 3CIF NAD 0.0000508 0.40364 5.29248
183 1EBF NAD 0.00001283 0.4059 5.30726
184 3BAZ NAP 0.00003933 0.50969 5.40541
185 1SJD NPG 0.0009724 0.42441 5.43478
186 4Q3S X7A 0.004119 0.40031 5.45455
187 1YKJ FAD 0.002659 0.40179 5.58376
188 1VL8 NAP 0.000417 0.44429 5.61798
189 3RFV NAI 0.00002 0.40681 5.61798
190 1MXI SAH 0.001426 0.43673 5.625
191 1A5Z NAD 0.000002002 0.40827 5.64263
192 2IVD FAD 0.001275 0.4186 5.64854
193 1SB8 UD2 0.0003623 0.42355 5.68182
194 1SB8 NAD 0.0003706 0.41943 5.68182
195 2VOH CIT 0.003492 0.45334 5.73248
196 3VPH OXM 0.0000637 0.4167 5.80645
197 3VPH NAD 0.000135 0.40137 5.80645
198 1C1L GAL BGC 0.004997 0.46352 5.83942
199 3JQF NAP 0.001135 0.43565 5.90278
200 3JQA NAP 0.002487 0.42734 5.90278
201 3S9K CIT 0.00526 0.47814 5.9322
202 3G2O SAM 0.009935 0.42435 6.02007
203 2WET FAD 0.0007207 0.40227 6.06654
204 2F1K NAP 0.0001385 0.48266 6.09319
205 4PLT NAI 0.00003329 0.42249 6.34441
206 4PLT OXM 0.00006163 0.42045 6.34441
207 2B4R NAD 0.00006882 0.40624 6.37681
208 2VZ6 FEF 0.04006 0.4105 6.38978
209 1NVM NAD 0.00002631 0.41931 6.41026
210 3WLE NAD 0.0001657 0.40874 6.45161
211 1G8S MET 0.002612 0.4709 6.52174
212 4MO2 FDA 0.003349 0.40124 6.52174
213 1KEV NDP 0.0001708 0.40372 6.55271
214 1VM6 NAD 0.000008884 0.40998 6.57895
215 3A28 NAD 0.0003065 0.45834 6.58915
216 1W7J ADP BEF 0.002287 0.43283 6.62252
217 2PV7 NAD 0.00002 0.4119 6.71141
218 2R0N TGC 0.0009735 0.41306 6.85279
219 1GQ2 NAP 0.00005754 0.40035 7.31707
220 2YY7 NAD 0.000004627 0.4352 7.37179
221 2QLX RM4 0.003127 0.47382 7.40741
222 1TB4 PEJ 0.001219 0.43441 7.54717
223 2DTX BMA 0.0005132 0.40071 7.57576
224 4NBU NAI 0.00002791 0.41581 7.6
225 3F81 STT 0.01973 0.42519 7.65027
226 3SHR CMP 0.006822 0.43011 7.69231
227 2NXE SAM 0.003314 0.44703 7.87402
228 1J5P NAD 0.0000004255 0.45098 7.90514
229 1SNN 5RP 0.03759 0.40857 7.92952
230 4CQM NAP 0.00007472 0.40281 8.42912
231 1Z45 NAD 0.00006012 0.40159 8.44278
232 1GZ6 NAI 0.0002465 0.45898 8.46395
233 2DT5 NAD 0.00001147 0.51934 8.53081
234 1TV5 ORO 0.001168 0.44638 8.57788
235 1TV5 A26 0.04601 0.40726 8.57788
236 1V7R CIT 0.002354 0.50548 8.60215
237 3DGB MUC 0.003145 0.44001 8.63039
238 3JUQ AKD 0.01353 0.4066 8.64865
239 4IXW IXW 0.03861 0.40086 8.66142
240 2FK8 SAM 0.01456 0.41056 8.80503
241 2AE2 PTO 0.000001028 0.43515 8.84615
242 9LDB NAD 0.00001164 0.42576 9.03614
243 9LDT NAD 0.00001379 0.42361 9.03614
244 3A2Y TS5 0.00483 0.42016 9.13706
245 2E1A MSE 0.003834 0.44585 9.33333
246 1WAP TRP 0.03717 0.40559 9.33333
247 1HDR NAD 0.0003833 0.41993 9.42623
248 4ORR PE3 0.001223 0.41781 10
249 4F4S EFO 0.002543 0.45927 10.5263
250 1ZEM NAD 0.00000145 0.43564 10.687
251 2Q37 3AL 0.00573 0.44842 11.0497
252 3OFK SAH 0.02112 0.40051 11.1111
253 1H2B NAJ 0.0001321 0.40367 11.1421
254 3A4V NAD 0.000008044 0.44682 11.3565
255 2EWM NAD 0.0001013 0.40155 11.6466
256 1EK6 UPG 0.0008176 0.41445 12.069
257 2O4J VD4 0.001407 0.41273 12.3288
258 1HDG NAD 0.00006303 0.50097 12.6506
259 1PZG A3D 0.00006917 0.46185 12.6888
260 2ZO9 MLI 0.01117 0.41876 13.5036
261 3K3K A8S 0.02655 0.40117 13.7441
262 4E5N NAD 0.000003968 0.4393 13.9394
263 1ZBQ NAD 0.0001837 0.40003 14.6789
264 2GCG NDP 0.00005121 0.40383 14.8485
265 1C3V NDP 0.00006806 0.40523 15.9184
266 1NNU NAD 0.0005968 0.4027 18.3333
267 3GX0 GDS 0.01073 0.40021 18.6047
268 1XEX ATP 0.003069 0.40749 22.093
269 1U1I NAD 0.00000000001767 0.60418 35.7143
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