Receptor
PDB id Resolution Class Description Source Keywords
1U8X 2.05 Å EC: 3.2.1.122 CRYSTAL STRUCTURE OF GLVA FROM BACILLUS SUBTILIS, A METAL-RE NAD-DEPENDENT 6-PHOSPHO-ALPHA-GLUCOSIDASE BACILLUS SUBTILIS STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE MCSGGLUCOSIDASE NAD-DEPENDENT MIDWEST CENTER FOR STRUCTURAL GHYDROLASE
Ref.: NOVEL CATALYTIC MECHANISM OF GLYCOSIDE HYDROLYSIS B THE STRUCTURE OF AN NAD(+)/MN(2+)-DEPENDENT PHOSPHO-ALPHA-GLUCOSIDASE FROM BACILLUS SUBTILIS. STRUCTURE V. 12 1619 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G6P X:902;
Valid;
none;
submit data
260.136 C6 H13 O9 P C([C@...
MN X:700;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
NAD X:900;
Valid;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U8X 2.05 Å EC: 3.2.1.122 CRYSTAL STRUCTURE OF GLVA FROM BACILLUS SUBTILIS, A METAL-RE NAD-DEPENDENT 6-PHOSPHO-ALPHA-GLUCOSIDASE BACILLUS SUBTILIS STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE MCSGGLUCOSIDASE NAD-DEPENDENT MIDWEST CENTER FOR STRUCTURAL GHYDROLASE
Ref.: NOVEL CATALYTIC MECHANISM OF GLYCOSIDE HYDROLYSIS B THE STRUCTURE OF AN NAD(+)/MN(2+)-DEPENDENT PHOSPHO-ALPHA-GLUCOSIDASE FROM BACILLUS SUBTILIS. STRUCTURE V. 12 1619 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1U8X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
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 1U8X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% 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 1U8X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G6P; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 M6P 1 1
2 BG6 1 1
3 G6P 1 1
4 M6D 1 1
5 BGP 1 1
6 A6P 1 1
7 RP5 0.8 0.902439
8 HSX 0.8 0.902439
9 ABF 0.8 0.902439
10 AHG 0.621622 0.795455
11 GLP 0.590909 0.829787
12 4R1 0.590909 0.829787
13 RF5 0.571429 0.8
14 50A 0.571429 0.8
15 4QY 0.55102 0.75
16 BMX 0.55102 0.75
17 16G 0.55102 0.75
18 GRF 0.547619 0.692308
19 NNG 0.530612 0.75
20 1FT 0.517857 0.847826
21 FDQ 0.511111 0.777778
22 G16 0.5 0.951219
23 PRP 0.5 0.880952
24 T6P 0.470588 0.906977
25 D6G 0.468085 0.951219
26 P3M 0.466667 0.906977
27 GLA 0.461538 0.675
28 GIV 0.461538 0.675
29 WOO 0.461538 0.675
30 GLC 0.461538 0.675
31 ALL 0.461538 0.675
32 BGC 0.461538 0.675
33 GXL 0.461538 0.675
34 GAL 0.461538 0.675
35 BMA 0.461538 0.675
36 MAN 0.461538 0.675
37 GLA BGC 0.45098 0.674419
38 BGC GLA 0.45098 0.674419
39 GLA BMA 0.45098 0.674419
40 LAK 0.45098 0.674419
41 GAL GAL 0.45098 0.674419
42 BMA GLA 0.45098 0.674419
43 MAN BMA 0.45098 0.674419
44 GLA GLC 0.45098 0.674419
45 MLB 0.45098 0.674419
46 N 0.444444 0.777778
47 PPC 0.442308 0.822222
48 GLC GLC GLC 0.433962 0.674419
49 MAN MAN MAN 0.433962 0.674419
50 GLC GLC GLC GLC BGC 0.433962 0.674419
51 GLC GLC GLC GLC GLC BGC 0.433962 0.674419
52 GLC GLC 0.423077 0.707317
Ligand no: 2; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U8X; Ligand: NAD; Similar sites found: 447
This union binding pocket(no: 1) in the query (biounit: 1u8x.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OOE FOM 0.003027 0.44545 0.990099
2 4OOE NDP 0.003027 0.44545 0.990099
3 1E1M NAP 0.0132 0.40513 1.08696
4 1E1M FAD 0.0132 0.40513 1.08696
5 1VQW FAD 0.005894 0.40215 1.09409
6 5VKT NAP 0.001136 0.42676 1.10497
7 1NYT NAP 0.003408 0.40077 1.10701
8 1H2B NAJ 0.0004133 0.44851 1.11421
9 2GV8 FAD 0.005518 0.40448 1.11857
10 2GVC FAD 0.005217 0.40429 1.11857
11 4FN4 NAD 0.004444 0.40328 1.1811
12 1OMO NAD 0.0002621 0.43956 1.24224
13 3LAD FAD 0.009135 0.40375 1.27119
14 3IHG FAD 0.005119 0.40214 1.27119
15 5UAO FAD 0.01004 0.40017 1.27119
16 1HYH NAD 0.000006218 0.51815 1.2945
17 1E3I CXF 0.000293 0.4052 1.32979
18 1RM0 NAI 0.0001935 0.47657 1.48305
19 1RM0 D6P 0.0002648 0.47392 1.48305
20 1O0S NAI 0.001196 0.41158 1.48305
21 1BZL FAD 0.03048 0.40791 1.48305
22 4JDR FAD 0.006896 0.40789 1.48305
23 3BAZ NAP 0.0003281 0.44677 1.5015
24 2X3N FAD 0.005522 0.40782 1.50376
25 1KOL NAD 0.0001626 0.46895 1.50754
26 1GY8 NAD 0.004822 0.40317 1.51134
27 2RAB NAD 0.0243 0.40069 1.51188
28 1YKJ PHB 0.00779 0.42056 1.52284
29 1YKJ FAD 0.00779 0.42056 1.52284
30 1NFQ NAI 0.004434 0.40589 1.53846
31 4OPC FDA 0.02523 0.41212 1.54525
32 4OPC PGT 0.02991 0.41146 1.54525
33 2VHW NAI 0.00004061 0.49342 1.59151
34 1N1G BCP 0.004067 0.41101 1.63934
35 1HKU NAD 0.000421 0.42001 1.67598
36 4PIV NDP 0.0002501 0.45433 1.69492
37 1V59 FAD 0.005871 0.41447 1.69492
38 4REP FAD 0.007239 0.40506 1.69492
39 1D4D FAD 0.0116 0.40032 1.69492
40 3B1F NAD 0.000482 0.42028 1.72414
41 5KMS NAD 0.01639 0.40385 1.7284
42 3QJ4 FAD 0.008043 0.40217 1.75439
43 3WLE NAD 0.0007566 0.44183 1.75953
44 5BUK FAD 0.01024 0.40345 1.77778
45 1H6C NDP 0.00461 0.41102 1.84758
46 1H6C SIN 0.006451 0.40713 1.84758
47 3A06 NDP 0.002137 0.42111 1.8617
48 3A06 FOM 0.002447 0.42111 1.8617
49 4KP7 NAP 0.003758 0.42438 1.87354
50 4KP7 1UQ 0.004444 0.41772 1.87354
51 5HSA FAS 0.006097 0.41011 1.90678
52 4TXI FAD 0.003831 0.40844 1.90678
53 2BRY FAD 0.004315 0.4076 1.90678
54 3MJE NDP 0.004344 0.40367 1.90678
55 4D04 NAP 0.01907 0.40354 1.90678
56 4D04 FAD 0.01907 0.40354 1.90678
57 1U7T TDT 0.005087 0.41337 1.91571
58 3GFB NAD 0.0002481 0.44969 2
59 3AXB PRO 0.01004 0.40205 2.00893
60 3AXB FAD 0.007643 0.40205 2.00893
61 3NUG NAD 0.00491 0.40286 2.02429
62 3T31 FAD 0.004114 0.4276 2.0595
63 3T31 DCQ 0.004459 0.4276 2.0595
64 1RYD NDP 0.004404 0.41183 2.06718
65 1UDB NAD 0.00762 0.41384 2.07101
66 4GLL NAD 0.004486 0.40569 2.07715
67 2C5A NAD 0.006834 0.41739 2.11082
68 2C5A GDC 0.006834 0.41739 2.11082
69 2FR1 NDP 0.001671 0.42285 2.11864
70 2HQM FAD 0.009508 0.40302 2.11864
71 2QA1 FAD 0.006552 0.40261 2.11864
72 1B8U OAA 0.0009475 0.4327 2.12766
73 1B8U NAD 0.0002066 0.4327 2.12766
74 5G3U FDA 0.003127 0.419 2.12766
75 2RH4 EMO 0.009479 0.40573 2.16606
76 1MXH DHF 0.001912 0.42776 2.17391
77 1MXH NAP 0.001941 0.42748 2.17391
78 1LDN NAD 0.00004878 0.48256 2.21519
79 1KEW NAD 0.01057 0.40777 2.21607
80 1KEW TYD 0.01498 0.40055 2.21607
81 1Q0H NDP 0.0007341 0.45427 2.21675
82 1Q0H FOM 0.0006808 0.45369 2.21675
83 1RKX NAD 0.00355 0.40847 2.2409
84 1VL8 NAP 0.003863 0.40953 2.24719
85 1UXG NAD 0.00001163 0.51843 2.26537
86 1UXG FUM 0.02979 0.40397 2.26537
87 4XYB NDP 0.001449 0.42792 2.30179
88 4CNK FAD 0.005622 0.40856 2.30179
89 4W6Z 8ID 0.0009465 0.43788 2.30548
90 1WDK NAD 0.00114 0.41088 2.30769
91 1W73 NAP 0.00229 0.40383 2.31788
92 1W8D NAP 0.002479 0.40259 2.31788
93 3WQQ NDP 0.002992 0.42292 2.33051
94 3WQQ IB3 0.002992 0.42292 2.33051
95 2ZXI FAD 0.004356 0.41203 2.33051
96 2DKH FAD 0.003638 0.41058 2.33051
97 2DKH 3HB 0.005937 0.40861 2.33051
98 4GKV NAD 0.00006186 0.48311 2.38095
99 1HDO NAP 0.003742 0.4113 2.42718
100 1V35 NAI 0.00853 0.40406 2.43161
101 3CH6 311 0.01467 0.40791 2.44755
102 3CH6 NAP 0.01467 0.40791 2.44755
103 1SC6 NAD 0.0004332 0.44629 2.47525
104 4TQG NDP 0.000126 0.46293 2.47678
105 4TM3 FAD 0.01833 0.40727 2.48307
106 1GZ6 NAI 0.0006836 0.41402 2.50784
107 4HXY NDP 0.001029 0.42988 2.51142
108 4EIP FAD 0.007017 0.41208 2.54237
109 4EIP K2C 0.007017 0.41208 2.54237
110 1FEC FAD 0.01295 0.40086 2.54237
111 3GGO NAI 0.0004391 0.45739 2.54777
112 3GGO ENO 0.0004391 0.45739 2.54777
113 5H81 NAP 0.000238 0.4335 2.57069
114 4D3F NAP 0.0007823 0.41465 2.58065
115 3JV7 NAD 0.0003212 0.44849 2.6087
116 1NVM NAD 0.00222 0.41659 2.6087
117 4X9M FAD 0.007531 0.40534 2.63158
118 4RQU NAD 0.00007722 0.47131 2.66667
119 1R6D NAD 0.003405 0.43034 2.67062
120 1R6D DAU 0.00632 0.41808 2.67062
121 2JHF NAD 0.002162 0.47248 2.6738
122 4RSL FAD 0.001885 0.42572 2.69663
123 2Q1W NAD 0.0002426 0.45634 2.7027
124 1GR0 NAD 0.0002797 0.45671 2.7248
125 3ABI NAD 0.0009903 0.42912 2.73973
126 3GD4 NAD 0.02813 0.40167 2.73973
127 3GD4 FAD 0.01983 0.40026 2.73973
128 3LU1 NAD 0.003867 0.40567 2.74725
129 3O03 NAP 0.002171 0.41124 2.74914
130 1MV8 NAD 0.0002163 0.45032 2.75229
131 1MUU NAD 0.0006296 0.42867 2.75229
132 1V8B NAD 0.001272 0.43267 2.75424
133 3UCL NAP 0.009355 0.42019 2.75424
134 3UCL CYH 0.008498 0.42019 2.75424
135 3UCL FAD 0.008498 0.42019 2.75424
136 4K5S PM0 0.01204 0.40381 2.75424
137 4K5S FAD 0.005361 0.40381 2.75424
138 2AE2 NAP 0.00909 0.40196 2.75424
139 2AE2 PTO 0.00909 0.40196 2.75424
140 3H4V DVP 0.002101 0.43029 2.77778
141 3H4V NAP 0.00256 0.42572 2.77778
142 1VKO NAD 0.0001547 0.46416 2.7933
143 2EWM NAD 0.001857 0.41969 2.81124
144 1BXK NAD 0.001522 0.42029 2.8169
145 1EZ4 NAD 0.00002913 0.48429 2.83019
146 3GEG NAD 0.001383 0.42042 2.83401
147 4BV6 FAD 0.007691 0.40592 2.83976
148 1SB8 UD2 0.004753 0.42336 2.84091
149 1SB8 NAD 0.00401 0.42319 2.84091
150 2G5C NAD 0.0001967 0.45692 2.84698
151 1RYI FAD 0.007781 0.40571 2.87958
152 2NPX NAD 0.009772 0.41359 2.90828
153 5M67 3D1 0.001912 0.43764 2.92276
154 5M67 ADE 0.002001 0.43682 2.92276
155 5M67 NAD 0.002146 0.43553 2.92276
156 2YVF NAD 0.01032 0.41457 2.94118
157 2YVF FAD 0.0111 0.41253 2.94118
158 4MP8 NAD 0.0002953 0.45971 2.94985
159 5JAQ NAI 0.001729 0.43065 2.95567
160 1F8F NAD 0.0005513 0.43051 2.96496
161 1H82 GZZ 0.0221 0.40011 2.9661
162 1H82 FAD 0.01861 0.40011 2.9661
163 1XCL SAH 0.00308 0.41223 2.97872
164 4XB2 HSE 0.0014 0.42592 2.98507
165 4XB2 NDP 0.0007175 0.41849 2.98507
166 2GSD NAD 0.003568 0.41331 2.98507
167 4MDH NAD 0.0001635 0.4568 2.99401
168 1IY8 NAD 0.004043 0.40622 2.99625
169 5MDH NAD 0.0002209 0.45168 3.003
170 2CUL FAD 0.00307 0.41596 3.01724
171 2XVE FAD 0.01035 0.41387 3.01724
172 2XVF FAD 0.005124 0.40915 3.01724
173 4PLT NAI 0.000003846 0.55833 3.02115
174 4PLT OXM 0.00002813 0.51927 3.02115
175 5DN9 NAD 0.0007758 0.43753 3.02198
176 2NAD NAD 0.004268 0.41015 3.05344
177 2CVQ NDP 0.0005263 0.43847 3.0581
178 1VM6 NAD 0.00009925 0.45937 3.07018
179 5N53 8NB 0.005605 0.44767 3.07692
180 3JYN NDP 0.003017 0.41385 3.07692
181 1KEV NDP 0.000698 0.44071 3.1339
182 4CJX NAP 0.002367 0.40625 3.1348
183 1X7D NAD 0.00004019 0.48249 3.14286
184 1X7D ORN 0.00008951 0.48084 3.14286
185 2O4C NAD 0.00043 0.44497 3.15789
186 1ZMD NAI 0.003337 0.40036 3.16456
187 3ZV6 NAD 0.01038 0.40052 3.17797
188 3ZV6 4HB 0.01092 0.40052 3.17797
189 1HYE NAP 0.0004737 0.42631 3.19489
190 1D1T NAD 0.0001629 0.46326 3.21716
191 1P0F NAP 0.0008376 0.43484 3.21716
192 2FZW NAD 0.002627 0.42723 3.21716
193 1GV0 NAD 0.00000579 0.51754 3.22581
194 2F1K NAP 0.003651 0.40242 3.22581
195 2BGM NAJ 0.001668 0.4157 3.23741
196 3D3W NAP 0.004343 0.40749 3.27869
197 1EDO NAP 0.004384 0.40609 3.27869
198 1PR9 NAP 0.006057 0.40168 3.27869
199 1DRV A3D 0.0001429 0.44127 3.2967
200 1YJQ NAP 0.002034 0.42073 3.30033
201 3E1T FAD 0.009746 0.40348 3.32031
202 5T9F TYR 0.00767 0.40198 3.32103
203 1PZG A3D 0.000005059 0.53171 3.32326
204 4USR FAD 0.003903 0.40936 3.3241
205 2GCG NDP 0.00017 0.45781 3.33333
206 1PGP 6PG 0.003471 0.41494 3.38983
207 1XSE NDP 0.00492 0.41298 3.38983
208 3CGD FAD 0.03121 0.40114 3.38983
209 3CGD NAD 0.03121 0.40114 3.38983
210 3CGD COA 0.03121 0.40114 3.38983
211 1ZEM NAD 0.0007722 0.42876 3.43511
212 3TWO NDP 0.0004364 0.45025 3.44828
213 3NJ4 AFX 0.007539 0.44247 3.44828
214 3NJ4 NAD 0.007959 0.44137 3.44828
215 1E3W NAD 0.002598 0.41253 3.44828
216 1ORR NAD 0.001595 0.42497 3.45821
217 1GQ2 NAP 0.0008356 0.43055 3.60169
218 4K26 NDP 0.004197 0.40558 3.62319
219 4K26 SFF 0.00845 0.40229 3.62319
220 2HK9 NAP 0.00119 0.42143 3.63636
221 1BW9 NAD 0.0005386 0.4186 3.65169
222 1BXG NAD 0.001788 0.41453 3.65169
223 1SOW NAD 0.000002991 0.53262 3.65854
224 1C1X NAD 0.000718 0.42999 3.66197
225 1HDR NAD 0.003799 0.42504 3.68852
226 2Q7V FAD 0.01032 0.40061 3.69231
227 1I2B NAD 0.003521 0.4305 3.71287
228 2NU8 COA 0.0002888 0.44542 3.81356
229 3OND NAD 0.002425 0.4324 3.81356
230 3OND ADN 0.002425 0.4324 3.81356
231 4XQC 13D 0.003068 0.42538 3.81356
232 4XQC NAD 0.003831 0.42041 3.81356
233 5MZI FYK 0.01061 0.4134 3.81356
234 5MZI FAD 0.01024 0.4134 3.81356
235 2WPF FAD 0.03168 0.40671 3.81356
236 2WPF WPF 0.03541 0.4057 3.81356
237 1XHC FAD 0.004099 0.412 3.81471
238 5CAE COA 0.0001402 0.44767 3.83387
239 5CAE SIN 0.0004443 0.44725 3.83387
240 5A04 NDP 0.01303 0.4068 3.83481
241 5A04 BGC 0.01555 0.4068 3.83481
242 2YY7 NAD 0.003925 0.40674 3.84615
243 3VPH OXM 0.00001724 0.50702 3.87097
244 3VPH NAD 0.00002164 0.49991 3.87097
245 1J49 NAD 0.0001533 0.45957 3.9039
246 1L7E NAI 0.0005658 0.42559 3.90625
247 1F8G NAD 0.0004026 0.4224 3.90625
248 1E6E FAD 0.006397 0.40413 3.90625
249 1LDM NAD 0.0001059 0.46756 3.95137
250 1CDO NAD 0.0001448 0.45712 4.01069
251 1U3U BNF 0.000567 0.45389 4.01069
252 1U3U NAD 0.000567 0.45389 4.01069
253 2ZJ1 NAD 0.001357 0.4457 4.02542
254 2ZJ1 ARJ 0.001436 0.44467 4.02542
255 5WGR FAD 0.004997 0.4127 4.02542
256 2HMT NAI 0.0001337 0.4397 4.16667
257 3KB6 NAD 0.0002193 0.4518 4.19162
258 1DLJ UGA 0.0005178 0.46256 4.22886
259 1DLJ NAI 0.0005288 0.46217 4.22886
260 2J8Z NAP 0.001972 0.41585 4.23729
261 1MO9 KPC 0.01818 0.41274 4.23729
262 1MO9 FAD 0.01902 0.41135 4.23729
263 1DJN ADP 0.001181 0.40933 4.23729
264 1YB5 NAP 0.006753 0.40094 4.2735
265 2DFV NAD 0.0009143 0.42748 4.32277
266 5EZ7 FAD 0.009305 0.40057 4.33673
267 1A5Z NAD 0.0003431 0.42629 4.38871
268 3CTY FAD 0.01124 0.40176 4.38871
269 4WAS NAP 0.006681 0.40336 4.3956
270 4WAS COO 0.007349 0.40168 4.3956
271 5U5G NAP 0.0004463 0.44129 4.40678
272 5THQ NDP 0.002076 0.41639 4.41176
273 1NM5 NAD 0.002581 0.43467 4.4335
274 1X87 NAD 0.0006475 0.41992 4.44915
275 1GTE FAD 0.01206 0.41096 4.44915
276 3WMX NAD 0.004714 0.40091 4.46927
277 4BVA T3 0.0009321 0.44053 4.47761
278 4BVA NDP 0.0007092 0.43632 4.47761
279 2GLX NDP 0.002472 0.40201 4.51807
280 1H5Q NAP 0.005272 0.40163 4.5283
281 1Y8Q ATP 0.002486 0.40187 4.53125
282 3S5W FAD 0.003122 0.4107 4.53564
283 2PZM NAD 0.0002976 0.46661 4.54545
284 2PZM UDP 0.0002976 0.46661 4.54545
285 4E5N NAD 0.001698 0.42123 4.54545
286 3HAD NAD 0.00491 0.42032 4.54545
287 1ZBQ NAD 0.001446 0.42536 4.58716
288 1R37 NAD 0.0001053 0.4738 4.61095
289 3OJO NAD 0.00005591 0.46072 4.64037
290 2VT3 ATP 0.00001301 0.43149 4.65116
291 5UAV TFB 0.001537 0.42933 4.65839
292 5UAV NDP 0.001537 0.42933 4.65839
293 2Z3Y F2N 0.01101 0.40127 4.66102
294 4ZGS NAD 0.0001297 0.45028 4.66321
295 2V6G NAP 0.004635 0.40386 4.67033
296 1LTH NAD 0.0000363 0.47149 4.70219
297 2RGO FAD 0.005876 0.40672 4.87288
298 1E5Q NDP 0.004845 0.40044 4.88889
299 1G0N PHH 0.004377 0.41607 4.947
300 1G0N NDP 0.003766 0.41569 4.947
301 4J4H 1J1 0.001343 0.44229 5.01931
302 4J4H NAI 0.001343 0.44229 5.01931
303 4JK3 NAD 0.0005441 0.43469 5.01931
304 5FI3 NAP 0.001865 0.41823 5.04202
305 1UWK URO 0.0005718 0.45687 5.08475
306 1UWK NAD 0.0005718 0.45687 5.08475
307 5K6A NAP 0.0009707 0.42946 5.08475
308 3JQ7 NAP 0.000831 0.42911 5.08475
309 5JDC NAP 0.0009928 0.4276 5.08475
310 4PLG NAI 0.000001938 0.54869 5.08982
311 4PLG OXM 0.001115 0.46716 5.08982
312 1DXY NAD 0.00007023 0.46938 5.1051
313 4IDC NDP 0.004369 0.40739 5.12048
314 4IDC 1XX 0.004369 0.40739 5.12048
315 1OC2 NAD 0.003534 0.4312 5.17241
316 1OC2 TDX 0.003534 0.4312 5.17241
317 2OOR NAD 0.0003776 0.42348 5.17241
318 2A92 NAI 0.000007953 0.51565 5.29595
319 3UOY FAD 0.02028 0.40474 5.29661
320 3UOY NAP 0.02028 0.40474 5.29661
321 4RVU NDP 0.001821 0.42391 5.42169
322 1J0X NAD 0.004309 0.41828 5.42169
323 3OID NDP 0.003434 0.41159 5.42636
324 5O4J 9KH 0.002794 0.41642 5.47445
325 5O4J SAH 0.002794 0.41642 5.47445
326 5O4J PJL 0.00263 0.41624 5.47445
327 5ITV NAI 0.001189 0.42739 5.4902
328 4J36 1HR 0.002286 0.42975 5.54217
329 4J36 FAD 0.001462 0.42649 5.54217
330 1LLU NAD 0.0003631 0.45215 5.55556
331 1O94 ADP 0.001913 0.40588 5.625
332 5JE8 NAD 0.00004087 0.48269 5.62914
333 2C29 DQH 0.008081 0.40688 5.63798
334 2C29 NAP 0.008351 0.40628 5.63798
335 1Z45 NAD 0.002476 0.41335 5.72034
336 4ZRN NAD 0.0009534 0.43525 5.76923
337 4ZRN UPG 0.004882 0.42043 5.76923
338 1RP0 AHZ 0.001795 0.42161 5.98592
339 3RFV NAI 0.001884 0.41516 5.99251
340 3RFV 15L 0.003428 0.40349 5.99251
341 2CDC XYP 0.001621 0.45167 6.01093
342 2CDC XYS 0.001846 0.44921 6.01093
343 2CDC NAP 0.001846 0.44921 6.01093
344 4XYM COA 0.009602 0.40192 6.08696
345 4FC7 NAP 0.008797 0.40443 6.13718
346 4FC7 COA 0.008797 0.40443 6.13718
347 2DT5 NAD 0.0000347 0.485 6.16114
348 1O6Z NAD 0.00002932 0.4748 6.27063
349 3NKS FAD 0.0073 0.40286 6.28931
350 2WSB NAD 0.007547 0.4053 6.29921
351 2R4J 13P 0.01237 0.40561 6.35593
352 2R4J FAD 0.01237 0.40561 6.35593
353 4E13 NAD 0.0006716 0.40919 6.36042
354 4BJZ P3A 0.02204 0.40482 6.36792
355 2HJR APR 0.000008678 0.48944 6.40244
356 2CDU ADP 0.0003827 0.40219 6.41593
357 4CQM NAP 0.003402 0.40788 6.51341
358 3QWI NAP 0.004722 0.4048 6.66667
359 3QWI CUE 0.008185 0.4048 6.66667
360 2VZ0 NAP 0.006487 0.43126 6.71642
361 2VZ0 D64 0.006487 0.43126 6.71642
362 2WD7 NAP 0.0009188 0.42893 6.71642
363 4J1Q NDP 0.001999 0.41415 6.89655
364 4EUE NAI 0.0007496 0.43677 6.9378
365 1X14 NAD 0.0001326 0.41779 6.98254
366 1LVL NAD 0.0009626 0.40468 6.9869
367 1PL6 572 0.0006294 0.4398 7.02247
368 1PL6 NAD 0.0002008 0.43152 7.02247
369 2Q1S NAI 0.001212 0.44122 7.1618
370 4NBU NAI 0.0009241 0.43175 7.2
371 2GN4 UD1 0.00213 0.46419 7.20339
372 2GN4 NDP 0.002076 0.46331 7.20339
373 2RGJ FAD 0.004667 0.40623 7.21393
374 5U8U FAD 0.02114 0.40277 7.27651
375 1C3V NDP 0.00007918 0.4742 7.34694
376 1GUZ NAD 0.000004528 0.51985 7.41935
377 2DBZ NAP 0.0003545 0.44523 7.48503
378 4ZVV GN0 0.00001927 0.53122 7.53012
379 4ZVV NAD 0.00001927 0.53122 7.53012
380 9LDB NAD 0.000007199 0.51562 7.53012
381 9LDT NAD 0.000007292 0.51539 7.53012
382 3LZW NAP 0.007274 0.41914 7.53012
383 3LZW FAD 0.003329 0.41789 7.53012
384 1ZK4 NAP 0.007116 0.40225 7.56972
385 3O9Z NAD 0.004268 0.42029 7.62712
386 3O9Z AKG 0.004072 0.42023 7.62712
387 1YQD NAP 0.0004434 0.44728 7.65027
388 1T26 NAI 0.00001006 0.52653 7.76398
389 2F5Z FAD 0.008766 0.4054 7.8125
390 3AD8 NAD 0.002663 0.41726 8.08081
391 2GAG NAD 0.003738 0.41474 8.08081
392 4YSX FAD 0.008208 0.40379 8.15603
393 4K28 NAD 0.001565 0.41357 8.17844
394 3A4V PYR 0.004112 0.41194 8.20189
395 3A4V NAD 0.004112 0.41194 8.20189
396 2Y6Q I7T 0.004093 0.42194 8.29146
397 2Y6Q FAD 0.001761 0.42194 8.29146
398 4CM9 NAP 0.0007093 0.43486 8.33333
399 4CMI NAP 0.0007787 0.43176 8.33333
400 4CME NAP 0.0008162 0.43096 8.33333
401 3JQF NAP 0.0009107 0.43056 8.33333
402 5JDI NAP 0.0008683 0.4299 8.33333
403 3JQA NAP 0.0008071 0.42961 8.33333
404 3BMO NAP 0.0008913 0.42945 8.33333
405 3BMQ NAP 0.0009739 0.42941 8.33333
406 3BMN NAP 0.001003 0.4289 8.33333
407 4CLR NAP 0.0009368 0.4286 8.33333
408 3JQ9 NAP 0.001021 0.4286 8.33333
409 3JQ8 NAP 0.001025 0.42853 8.33333
410 4CM4 NAP 0.0009416 0.42851 8.33333
411 4CM8 NAP 0.0009571 0.42823 8.33333
412 3JQB NAP 0.000909 0.42758 8.33333
413 3JQG NAP 0.0009358 0.42709 8.33333
414 4CLO NAP 0.001009 0.4258 8.33333
415 5JCJ NAP 0.0008664 0.41708 8.33333
416 2PV7 NAD 0.003914 0.40269 8.38926
417 2Q46 NAP 0.001364 0.42216 8.69565
418 3SJ7 NDP 0.003842 0.40442 8.73016
419 3AB1 FAD 0.004008 0.41666 8.88889
420 5ODQ FAD 0.01028 0.40161 9.0301
421 1U1I NAD 0.0001079 0.47338 9.11017
422 1I0Z NAI 0.00009923 0.46869 9.30931
423 2CVZ NDP 0.0005254 0.43528 9.34256
424 1VJT NAD 0.00001853 0.46395 9.52381
425 3L9W AMP 0.00367 0.4079 9.68523
426 3L9W GSH 0.003416 0.40644 9.68523
427 1WP4 NDP 0.0004139 0.44098 9.68858
428 5KKA 6V0 0.000004011 0.52753 10.2564
429 4KWI NAP 0.008948 0.40224 10.2662
430 4KWI 1TJ 0.009432 0.40224 10.2662
431 1YKF NAP 0.003191 0.40898 10.5114
432 3H8V ATP 0.00041 0.41071 10.6164
433 1VL0 NAI 0.003421 0.40064 10.6164
434 2EV9 SKM 0.001427 0.4256 10.6464
435 2EV9 NAP 0.001427 0.4256 10.6464
436 2GZ3 NAP 0.006529 0.41508 11.2022
437 3OA2 NAD 0.0006945 0.43372 11.3208
438 2DC1 NAD 0.001566 0.41832 11.4407
439 1J5P NAD 0.0007543 0.43076 11.4625
440 4YAG NAI 0.004808 0.41535 11.7647
441 1LSS NAD 0.0001331 0.43464 12.1429
442 4NBW NAD 0.002565 0.4099 12.8405
443 1SAY PYR 0.0001416 0.46863 15.5125
444 5L95 AMP 0.0003536 0.4171 17.5
445 2GDZ NAD 0.005201 0.40057 18.3521
446 1OBB NAD 0.000005293 0.50349 32.4153
447 1UP7 NAD 0.0000001369 0.56914 49.1607
Pocket No.: 2; Query (leader) PDB : 1U8X; Ligand: G6P; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 1u8x.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RUU 37G 0.02324 0.41334 1.31004
2 1ZSQ PIB 0.0253 0.40621 2.11864
3 3F5K CE5 0.02638 0.41005 2.33051
4 1DQX BMP 0.02828 0.40573 4.11985
5 5LUN ARG 0.01479 0.41827 5.11364
6 2VRQ XYP XYP AHR 0.01815 0.40589 8.05085
7 1UP7 G6P 0.0000000003636 0.80899 49.1607
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