Receptor
PDB id Resolution Class Description Source Keywords
1EK6 1.5 Å EC: 5.1.3.2 STRUCTURE OF HUMAN UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH NADH AND UDP-GLUCOSE HOMO SAPIENS EPIMERASE SHORT-CHAIN DEHYDROGENASE GALACTOSEMIA ISOMERASE
Ref.: CRYSTALLOGRAPHIC EVIDENCE FOR TYR 157 FUNCTIONING AS THE ACTIVE SITE BASE IN HUMAN UDP-GALACTOSE 4-EPIMERASE. BIOCHEMISTRY V. 39 5691 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:961;
B:960;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
NAI A:400;
B:402;
Valid;
Valid;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
TMA A:950;
A:952;
B:951;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
74.145 C4 H12 N C[N+]...
UPG A:401;
B:403;
Valid;
Valid;
none;
none;
submit data
566.302 C15 H24 N2 O17 P2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EK6 1.5 Å EC: 5.1.3.2 STRUCTURE OF HUMAN UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH NADH AND UDP-GLUCOSE HOMO SAPIENS EPIMERASE SHORT-CHAIN DEHYDROGENASE GALACTOSEMIA ISOMERASE
Ref.: CRYSTALLOGRAPHIC EVIDENCE FOR TYR 157 FUNCTIONING AS THE ACTIVE SITE BASE IN HUMAN UDP-GALACTOSE 4-EPIMERASE. BIOCHEMISTRY V. 39 5691 2000
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1I3L - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
2 1I3M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1I3K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1EK5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1HZJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1EK6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
7 1I3N - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1I3L - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
2 1I3M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1I3K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1EK5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1HZJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1EK6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
7 1I3N - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1XEL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1KVT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1LRJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1LRL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1KVQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1KVS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 2UDP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 1UDC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1NAI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1UDA Ki = 1.4 mM UFG C15 H23 F N2 O16 P2 C1=CN(C(=O....
11 1KVU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 1A9Y - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 1LRK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 1A9Z - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 1NAH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 1UDB Ki = 1.2 mM UFG C15 H23 F N2 O16 P2 C1=CN(C(=O....
17 1KVR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 1I3L - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
19 1I3M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 1I3K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1EK5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
22 1HZJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1EK6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
24 1I3N - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1GY8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: UPG; Similar ligands found: 94
No: Ligand ECFP6 Tc MDL keys Tc
1 GDU 1 1
2 UFM 1 1
3 UPG 1 1
4 GUD 1 1
5 USQ 0.8 0.846154
6 UFG 0.797619 0.943662
7 U2F 0.797619 0.943662
8 UPF 0.797619 0.943662
9 UD1 0.73913 0.985294
10 UD2 0.73913 0.985294
11 UGB 0.738636 0.985075
12 UGA 0.738636 0.985075
13 UDP 0.717949 0.941176
14 UDX 0.715909 0.970588
15 UAD 0.715909 0.970588
16 UDP GAL 0.715909 0.970588
17 UTP 0.7125 0.941176
18 IUG 0.693878 0.835443
19 G3N 0.692308 0.942857
20 C5G 0.688889 0.943662
21 URM 0.681818 0.956522
22 660 0.681818 0.956522
23 UPU 0.670588 0.970149
24 EPZ 0.650485 0.971014
25 3UC 0.648936 0.943662
26 UNP 0.647059 0.914286
27 EEB 0.644231 0.957143
28 EPU 0.644231 0.957143
29 U5P 0.641026 0.926471
30 HP7 0.636364 0.970588
31 UD7 0.636364 0.956522
32 2GW 0.632653 0.957143
33 MJZ 0.63 0.942857
34 UD4 0.623762 0.942857
35 UDH 0.615385 0.866667
36 UPP 0.615385 0.942029
37 UDZ 0.615385 0.88
38 UMA 0.598214 0.971014
39 44P 0.597561 0.901408
40 UDM 0.59596 0.942857
41 12V 0.592233 0.929577
42 HWU 0.592233 0.929577
43 1GW 0.590476 0.917808
44 2KH 0.586207 0.914286
45 Y6W 0.585106 0.916667
46 UDP UDP 0.576471 0.911765
47 U22 0.567797 0.8375
48 U21 0.567797 0.858974
49 U20 0.567797 0.858974
50 URI 0.552632 0.865672
51 U 0.552632 0.865672
52 CJB 0.551282 0.850746
53 UP5 0.527273 0.855263
54 UAG 0.523438 0.917808
55 2QR 0.520325 0.848101
56 DAU 0.519608 0.891892
57 U3P 0.511905 0.911765
58 UA3 0.511905 0.911765
59 CSQ 0.504762 0.878378
60 CSV 0.504762 0.878378
61 4TC 0.504425 0.833333
62 U U 0.5 0.927536
63 4RA 0.492308 0.857143
64 UD0 0.484848 0.846154
65 PUP 0.480392 0.887324
66 UML 0.478571 0.858974
67 U2P 0.476744 0.926471
68 CXY 0.471154 0.916667
69 GDD 0.463636 0.8
70 GKE 0.463636 0.8
71 GDC 0.463636 0.8
72 A U 0.461538 0.831169
73 CTP 0.447917 0.888889
74 CDP 0.446809 0.888889
75 CH 0.444444 0.861111
76 ADQ 0.443396 0.828947
77 DKX 0.44186 0.774648
78 U2S 0.43956 0.77027
79 UMF 0.438202 0.833333
80 U4S 0.433333 0.733333
81 DUT 0.43299 0.861111
82 U3S 0.423913 0.756757
83 5GW 0.421569 0.915493
84 DUD 0.421053 0.861111
85 5FU 0.417582 0.863014
86 C2G 0.417476 0.902778
87 UPA 0.416667 0.868421
88 7XL 0.415842 0.890411
89 U1S 0.415842 0.776316
90 U U U U 0.413462 0.913043
91 2TU 0.411765 0.777778
92 UTP U U U 0.409524 0.897059
93 139 0.406504 0.835443
94 APU 0.401639 0.831169
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EK6; Ligand: UPG; Similar sites found: 413
This union binding pocket(no: 1) in the query (biounit: 1ek6.bio1) has 55 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CQK PIO 0.04997 0.42182 None
2 4FN4 NAD 0.0000008966 0.5706 1.1811
3 2HMT NAI 0.0004522 0.48397 1.38889
4 1ZGA SAH 0.03108 0.41607 1.43678
5 3LZW FAD 0.00372 0.40507 1.50602
6 2EWM NAD 0.00000005932 0.61351 1.60643
7 2VDV SAM 0.04434 0.40798 1.62602
8 1E5Q NDP 0.001767 0.43845 1.72414
9 1D1T NAD 0.007308 0.40608 1.72414
10 3B1J NAD 0.003193 0.42523 1.76991
11 3SJU NDP 0.000002021 0.55173 1.79211
12 1HDG NAD 0.004018 0.43154 1.80723
13 1V35 NAI 0.00005143 0.46463 1.82371
14 3OA2 NAD 0.0009267 0.45011 1.88679
15 3ICC NAP 0.000001631 0.55115 1.96078
16 1LVL NAD 0.003063 0.44913 2.01149
17 1MUU NAD 0.003546 0.43391 2.01149
18 1MV8 NAD 0.004072 0.42855 2.01149
19 1GQ2 NAP 0.004835 0.42026 2.01149
20 5JJR SAH 0.02744 0.40979 2.01149
21 4RQU NAD 0.01366 0.40143 2.01149
22 2JAP NDP 0.0000009345 0.56524 2.02429
23 2JAH NDP 0.000002621 0.54719 2.02429
24 1EJ0 SAM 0.01526 0.42227 2.22222
25 3RKR NAP 0.0005607 0.51694 2.29008
26 1VKO NAD 0.000877 0.4427 2.29885
27 4XQC 13D 0.0002205 0.43559 2.29885
28 4XQC NAD 0.0002589 0.43545 2.29885
29 3L9W AMP 0.00296 0.4241 2.29885
30 1SQF SAM 0.01515 0.42243 2.29885
31 3L9W GSH 0.00498 0.41972 2.29885
32 4DPL NAP 0.01089 0.40335 2.29885
33 1SAY PYR 0.007503 0.4015 2.29885
34 2B4R NAD 0.004106 0.41836 2.31884
35 2B4R AES 0.01204 0.40155 2.31884
36 3MB5 SAM 0.02126 0.40455 2.35294
37 2VDF OCT 0.04487 0.41691 2.37154
38 4B7X NAP 0.007835 0.40077 2.38095
39 4E5N NAD 0.004222 0.41787 2.42424
40 1N5D NDP 0.000004113 0.5393 2.43056
41 2CVQ NDP 0.0008652 0.45135 2.44648
42 1WMA AB3 0.000004683 0.49496 2.53623
43 1WMA NDP 0.000004683 0.49496 2.53623
44 3GGO NAI 0.001179 0.41695 2.54777
45 3ICS ADP 0.001186 0.49426 2.58621
46 1O0S NAI 0.007477 0.42514 2.58621
47 3DMH SAM 0.01721 0.41399 2.58621
48 1HYH NAD 0.002355 0.42811 2.589
49 1UXG NAD 0.001907 0.41566 2.589
50 4MDH NAD 0.0008647 0.45435 2.69461
51 5MDH NAD 0.0005028 0.46429 2.7027
52 3BAZ NAP 0.003595 0.43365 2.7027
53 1V6A TRE 0.001372 0.50814 2.71084
54 2G5C NAD 0.006664 0.41212 2.84698
55 2BH9 NAP 0.001628 0.47781 2.87356
56 1BW9 NAD 0.001238 0.46389 2.87356
57 2A92 NAI 0.0007722 0.4449 2.87356
58 1C1X NAD 0.002163 0.44036 2.87356
59 4DCM SAM 0.01083 0.43623 2.87356
60 2Y6Q FAD 0.001675 0.43153 2.87356
61 3OJO NAD 0.005568 0.43093 2.87356
62 2NU8 COA 0.009104 0.41352 2.87356
63 1X7D NAD 0.008254 0.41057 2.87356
64 3H9E NAD 0.007528 0.41707 2.89017
65 1NYT NAP 0.007505 0.41968 2.95203
66 3G2O SAM 0.03318 0.40573 3.01003
67 2DTX BMA 0.00000008651 0.56994 3.0303
68 1F06 NDP 0.004978 0.41498 3.125
69 1A5Z NAD 0.0004567 0.48377 3.1348
70 1NW5 SAM 0.03408 0.40249 3.1348
71 1EZ4 NAD 0.000763 0.45978 3.14465
72 2IZ1 ATR 0.02495 0.43696 3.16092
73 3AXB FAD 0.001831 0.41844 3.16092
74 4K5S FAD 0.004567 0.412 3.16092
75 3AXB PRO 0.001898 0.40777 3.16092
76 3GMB FAD 0.007891 0.40689 3.16092
77 3DXY SAM 0.04033 0.41334 3.21101
78 1GEE NAD 0.0000008587 0.57137 3.44828
79 1ZMD NAI 0.001786 0.44691 3.44828
80 4R5M NAP 0.004762 0.42053 3.44828
81 4R5M 4NO 0.00658 0.41009 3.44828
82 2RGJ FAD 0.006249 0.40665 3.44828
83 3H4V DVP 0.000001439 0.45393 3.47222
84 3H4V NAP 0.000003838 0.44015 3.47222
85 1OAA OAA 0.000001921 0.50818 3.4749
86 3O26 NDP 0.00000224 0.41491 3.53698
87 4OWK NGA 0.04746 0.41806 3.62319
88 1KYQ NAD 0.0006607 0.49291 3.64964
89 3V1U NAD 0.00000001547 0.44507 3.73563
90 5VN0 NAI 0.005217 0.42392 3.73563
91 3GFB NAD 0.005711 0.41969 3.73563
92 1X14 NAD 0.009562 0.43548 3.74065
93 2DFV NAD 0.005184 0.42148 3.7464
94 4OHU 2TK 0.00006103 0.43222 3.80623
95 4OHU NAD 0.00006103 0.43222 3.80623
96 4O1M NAD 0.00005511 0.4974 3.80952
97 4RDH AMP 0.004413 0.45596 3.81944
98 3V1Y NAD 0.001708 0.44476 3.85757
99 2UYQ SAM 0.003246 0.48812 3.87097
100 4UUU SAM 0.04441 0.40795 3.87097
101 3GU3 SAH 0.02447 0.42856 3.87324
102 3KLJ FAD 0.006675 0.40552 3.8961
103 4D42 W0I 0.00005578 0.42506 3.90071
104 4D42 NAP 0.00005578 0.42506 3.90071
105 4KOA NDP 0.01865 0.42105 3.9039
106 1CER NAD 0.0008513 0.45774 3.92749
107 1J5P NAD 0.001519 0.44402 3.95257
108 2HJR APR 0.00004658 0.52465 3.96341
109 4O0L NDP 0.0000006399 0.57187 4
110 3H8V ATP 0.001766 0.4678 4.02299
111 2VUT NAD 0.01747 0.41368 4.02299
112 1P77 ATR 0.006042 0.47101 4.04412
113 2AG5 NAD 0.0000009257 0.42658 4.06504
114 4K28 NAD 0.006176 0.42338 4.08922
115 3QV1 NAD 0.004252 0.42774 4.1543
116 2PXX SAH 0.01912 0.41459 4.18605
117 1DSS NAD 0.002393 0.44137 4.2042
118 1J49 NAD 0.003748 0.42486 4.2042
119 2WYV NAD 0.0000144 0.52125 4.21456
120 1LDM NAD 0.0007173 0.45179 4.25532
121 2IXB NAD 0.006312 0.41081 4.31034
122 3CBG SAH 0.03368 0.40821 4.31034
123 3LKZ SFG 0.01166 0.42488 4.36137
124 5L4S 6KX 0.000007878 0.42252 4.40252
125 5L4S NAP 0.000007878 0.42252 4.40252
126 3L4S NAD 0.00223 0.4266 4.46429
127 3L4S 3PG 0.002616 0.42148 4.46429
128 1NVM NAD 0.008982 0.40462 4.48718
129 4J7U YTZ 0.000004827 0.43986 4.51389
130 4J7U NAP 0.000004827 0.43986 4.51389
131 1TB4 PEJ 0.007796 0.40932 4.5977
132 1F8F NAD 0.01699 0.40411 4.5977
133 1Z6Z NAP 0.000006602 0.40188 4.60993
134 2AE2 NAP 0.0000002342 0.47175 4.61538
135 2AE2 PTO 0.0000002342 0.47175 4.61538
136 1YXM ADE 0.00002838 0.60981 4.62046
137 3JV7 NAD 0.008797 0.40716 4.63768
138 1OMO NAD 0.003865 0.43513 4.65839
139 1XG5 NAP 0.000005211 0.53515 4.6595
140 1JG3 ADN 0.03885 0.40235 4.68085
141 2B4Q NAP 0.000002181 0.5548 4.71014
142 4K26 NDP 0.000004593 0.53736 4.71014
143 4K26 SFF 0.000001475 0.52561 4.71014
144 9LDB NAD 0.0007751 0.44758 4.81928
145 3G5S FAD 0.003032 0.41033 4.88506
146 2VVL FAD 0.003157 0.40193 4.88506
147 3OIG NAD 0.00003569 0.51279 4.88722
148 1Q7B NAP 0.000001283 0.56423 4.91803
149 1G0N PHH 0.0000003274 0.47017 4.947
150 1G0N NDP 0.0000002388 0.46484 4.947
151 2ZAT NAP 0.000002458 0.55267 5
152 3VZS NAP 0.0000001596 0.54147 5.05837
153 3VZS CAA 0.000003142 0.44638 5.05837
154 3OJF IMJ 0.00004363 0.41245 5.05837
155 3O03 NAP 0.00000002512 0.65205 5.15464
156 4ITU NAI 0.0000003439 0.5734 5.17241
157 4ITU 1HS 0.0000003439 0.53723 5.17241
158 1PL6 NAD 0.001079 0.47032 5.17241
159 1P31 EPU 0.01379 0.42442 5.17241
160 1PL6 572 0.003663 0.41802 5.17241
161 1VJT NAD 0.02106 0.41258 5.17241
162 2D2I NAP 0.01509 0.4088 5.17241
163 1U1I NAD 0.005628 0.40633 5.17241
164 2PX8 SAH 0.04252 0.40041 5.20446
165 3CH6 311 0.000001452 0.486 5.24476
166 3CH6 NAP 0.000001452 0.486 5.24476
167 1LLU NAD 0.007886 0.40066 5.26316
168 1W6U NAP 0.0000005082 0.40915 5.29801
169 4KWI NAP 0.0000001035 0.56309 5.32319
170 4KWI 1TJ 0.000000131 0.55555 5.32319
171 2PV7 NAD 0.001219 0.44804 5.36913
172 2BGM NAJ 0.000000006391 0.45841 5.39568
173 3OID NDP 0.000007722 0.41134 5.42636
174 4WA2 SIA GAL NAG 0.04313 0.4225 5.45977
175 1YB5 NAP 0.004423 0.41038 5.45977
176 1O6Z NAD 0.000495 0.47473 5.61056
177 1IY8 NAD 0.0000001147 0.60196 5.61798
178 3ZV6 NAD 0.0000003255 0.54169 5.69395
179 3ZV6 4HB 0.00000032 0.53831 5.69395
180 4OSP NAP 0.0000005995 0.58265 5.70342
181 4OSP 2V4 0.006475 0.46932 5.70342
182 3SSO SAH 0.001705 0.46103 5.74713
183 5CAE COA 0.004294 0.4331 5.74713
184 4KRI SAH 0.03286 0.40326 5.74713
185 1BDB NAD 0.0000004829 0.56763 5.77617
186 3EGI ADP 0.02409 0.43697 5.82524
187 2DKN NAI 0.000000683 0.5803 5.88235
188 3Q87 SAM 0.02186 0.40399 5.88235
189 3SJ7 NDP 0.00000008726 0.61743 5.95238
190 4E13 NAD 0.0004502 0.48805 6.00707
191 1DJN ADP 0.001838 0.45268 6.03448
192 1O94 ADP 0.002437 0.44402 6.03448
193 2CUL FAD 0.001032 0.43235 6.03448
194 5H81 NAP 0.006118 0.43201 6.03448
195 4MO2 FDA 0.003351 0.40872 6.03448
196 4MO2 FAD 0.003689 0.4052 6.03448
197 4BUZ NAD 0.0129 0.4047 6.09756
198 4LO2 GAL BGC 0.03499 0.41552 6.12245
199 3FUU ADN 0.03416 0.40245 6.27306
200 3KB6 NAD 0.006663 0.41686 6.28743
201 1HKU NAD 0.007277 0.40832 6.32184
202 4ZA2 NAD 0.0000004936 0.42657 6.32411
203 2QA1 FAD 0.002824 0.4157 6.4
204 3OFK SAH 0.01952 0.40876 6.48148
205 1MXH DHF 0.000003253 0.43202 6.52174
206 1MXH NAP 0.000003933 0.42979 6.52174
207 1P1C SAH 0.02201 0.40386 6.53266
208 4GKV NAD 0.007402 0.40173 6.54762
209 1HDR NAD 0.001083 0.40493 6.55738
210 3A28 NAD 0.00000007632 0.61438 6.58915
211 1I0Z NAI 0.0002936 0.46767 6.60661
212 2C9O ADP 0.03502 0.40192 6.6092
213 2BKA NDP 0.00005035 0.50268 6.61157
214 1PZG A3D 0.0009628 0.42877 6.64653
215 1ZQ9 SAM 0.01343 0.42498 6.66667
216 4NEC SAH 0.02547 0.41736 6.81818
217 3GEG NAD 0.000002463 0.40468 6.88259
218 5MSO NAP 0.00000009864 0.43477 6.89949
219 3AFN NAP 0.000003381 0.41844 6.97674
220 1JAY NAP 0.005646 0.43362 7.07547
221 2F1K NAP 0.003808 0.4298 7.16846
222 2I3G NAP 0.004221 0.41788 7.18391
223 4II2 ATP 0.004985 0.43924 7.22892
224 5JE8 NAD 0.002476 0.44072 7.28477
225 1HYE NAP 0.001496 0.45671 7.34824
226 3TN7 NJP 0.000002491 0.41877 7.393
227 4OOE NDP 0.003369 0.43209 7.47126
228 2JJQ SAH 0.01991 0.42615 7.47126
229 2GV8 FAD 0.002691 0.41872 7.47126
230 1VQW FAD 0.003389 0.41708 7.47126
231 1F8G NAD 0.01806 0.41033 7.47126
232 1L7E NAI 0.01996 0.40337 7.47126
233 5CG1 NAD BBN 0.0007045 0.40452 7.54098
234 2CFC NAD 0.000000389 0.59045 8
235 2CFC KPC 0.03339 0.43018 8
236 4CQM NAP 0.0000001595 0.60129 8.04598
237 2EXX NAP 0.002812 0.41798 8.16993
238 3IHG FAD 0.01327 0.40196 8.2243
239 3RJ5 NAD 0.0000006018 0.5434 8.26772
240 2Q46 NAP 0.00001908 0.5202 8.3004
241 4FC7 COA 0.000001506 0.45395 8.30325
242 4FC7 NAP 0.000001506 0.45395 8.30325
243 2XVF FAD 0.002775 0.41175 8.33333
244 1Y8Q ATP 0.007069 0.42625 8.3815
245 3VPH NAD 0.001015 0.43759 8.3871
246 3VPH OXM 0.001586 0.42524 8.3871
247 1LTH NAD 0.0004979 0.47461 8.46395
248 1XSE NDP 0.0000001402 0.55841 8.47458
249 1YJQ NAP 0.004511 0.41221 8.58086
250 1T26 NAI 0.00146 0.41171 8.62069
251 4NBT NAD 0.0000001416 0.6087 8.75
252 1DRV A3D 0.006278 0.4315 8.79121
253 1QG6 NAD 0.00003381 0.46564 8.81226
254 1QG6 TCL 0.00003381 0.41926 8.81226
255 5L4L 7OX 0.00003928 0.40431 8.88158
256 4N14 WR7 0.03815 0.42341 8.9172
257 1XKQ NDP 0.000009815 0.51644 8.92857
258 1FK8 NAD 0.000002906 0.5685 8.94942
259 3BMQ NAP 0.0000006509 0.57629 9.02778
260 3JQF NAP 0.0000007192 0.57452 9.02778
261 3JQA NAP 0.000001242 0.57436 9.02778
262 3JQG NAP 0.000001256 0.57415 9.02778
263 3JQB NAP 0.000001558 0.5702 9.02778
264 3JQ8 NAP 0.000001045 0.56787 9.02778
265 3JQ9 NAP 0.000001059 0.56763 9.02778
266 3BMO NAP 0.000001715 0.56367 9.02778
267 4CM4 NAP 0.000001833 0.56248 9.02778
268 3BMN NAP 0.000001448 0.56208 9.02778
269 4CM8 NAP 0.000001909 0.56175 9.02778
270 4CMI NAP 0.00000202 0.56072 9.02778
271 5JCJ NAP 0.000002219 0.55903 9.02778
272 3JQ7 NAP 0.000003396 0.55592 9.02778
273 5JCJ 6JM 0.03382 0.42856 9.02778
274 4CM9 NAP 0.0000009814 0.41959 9.02778
275 5K6A NAP 0.000000985 0.4194 9.02778
276 4CME NAP 0.0000006996 0.41939 9.02778
277 4CLR NAP 0.000001491 0.41037 9.02778
278 4CLO NAP 0.000001053 0.41033 9.02778
279 5JDI NAP 0.00000183 0.40873 9.02778
280 5JDC NAP 0.000002166 0.40745 9.02778
281 3AI3 SOL 0.009479 0.45996 9.12547
282 1X1T NAD 0.0000017 0.54624 9.23077
283 2XYQ SAH 0.02093 0.41556 9.31034
284 4HXY NDP 0.000000008037 0.46983 9.36073
285 4CT7 TRP 0.02735 0.44792 9.62963
286 2VZ0 D64 0.00001112 0.4702 9.70149
287 2VZ0 NAP 0.00001112 0.4702 9.70149
288 2WD7 NAP 0.000001519 0.41028 9.70149
289 2GZ3 NAP 0.003592 0.41387 9.77011
290 1GR0 NAD 0.006425 0.40411 9.77011
291 1LSS NAD 0.000819 0.47591 10
292 1WP4 NDP 0.008048 0.41339 10.0346
293 2RH4 EMO 0.0000003963 0.52479 10.1083
294 4PIV NDP 0.0000007377 0.42333 10.6322
295 1NFQ NAI 0.00000009215 0.45464 10.7692
296 2VYN NAD 0.006917 0.41377 10.7784
297 1AE1 NAP 0.000002354 0.42539 10.989
298 3B1F NAD 0.001302 0.46289 11.0345
299 2BD0 NAP 0.0000004463 0.5735 11.0656
300 1EDO NAP 0.0000007614 0.43291 11.4754
301 3MJE NDP 0.00000007113 0.44806 11.4919
302 1W73 NAP 0.0000003804 0.61278 11.5894
303 1W8D NAP 0.0000009477 0.59521 11.5894
304 2FR1 NDP 0.000000009954 0.6391 11.9342
305 3ABI NAD 0.0002502 0.47051 12.069
306 1RM0 NAI 0.0008176 0.41445 12.069
307 1RM0 D6P 0.001392 0.40143 12.069
308 1D7O NAD 0.0000142 0.49651 12.1212
309 1ZK4 NAP 0.0000009001 0.44574 12.3506
310 3QWI CUE 0.00000293 0.44491 12.963
311 3QWI NAP 0.000004948 0.41393 12.963
312 1H5Q NAP 0.0000001125 0.6023 13.5849
313 5E8J SAH 0.03778 0.41164 13.6364
314 4QED NAP 0.000001802 0.4171 13.7097
315 3ORF NAD 0.0000006994 0.57987 13.9442
316 1O5I NAD 0.0002866 0.50154 14.0562
317 1C3V NDP 0.002198 0.42932 14.2857
318 1N7G GDR 0.00000002206 0.53491 14.3678
319 1N7G NDP 0.0000389 0.40634 14.3678
320 3I6I NDP 0.0002491 0.44793 14.4509
321 2YVJ NAI 0.01577 0.42158 14.6789
322 1Y1P NMN AMP PO4 0.0000001906 0.63232 14.9123
323 2GN4 UD1 0.00000001508 0.43003 15.2299
324 2GN4 NDP 0.000000113 0.41742 15.2299
325 1JA9 NDP 0.000004374 0.4144 15.6934
326 3A06 NDP 0.002073 0.4231 15.8046
327 3A06 FOM 0.002715 0.4142 15.8046
328 2DT5 NAD 0.002897 0.42952 16.1137
329 4R1S NAP 0.00000002169 0.65478 16.3205
330 5MPT SAH 0.03167 0.40672 16.3793
331 2Q2V NAD 0.000008359 0.41044 16.8627
332 4J1Q NDP 0.00000004152 0.44074 17.2414
333 4YAG NAI 0.0000006166 0.46594 17.301
334 2HK9 ATR 0.001366 0.49616 17.4545
335 2HK9 NAP 0.01212 0.40816 17.4545
336 3WMX NAD 0.0000000009048 0.71396 17.8161
337 5ULP KB1 0.01234 0.4127 17.9104
338 3WXB NDP 0.000002408 0.54867 17.9211
339 1VL8 NAP 0.000000524 0.56624 18.3521
340 2GDZ NAD 0.0000001161 0.44483 18.3521
341 2YY7 NAD 0.00000000441 0.47695 18.5897
342 5THQ NDP 0.0000001516 0.43996 18.75
343 1XHL NDP 0.000007294 0.40968 19.1919
344 3RFV NAI 0.00000001044 0.66197 19.4757
345 3RFV 15L 0.0000001391 0.62016 19.4757
346 1VL0 NAI 0.00000009672 0.43622 19.5205
347 1RKX NAD 0.000000007637 0.64939 19.5402
348 4QTU SAM 0.0343 0.40236 19.7115
349 1U7T NAD 0.00000005621 0.63111 19.9234
350 1U7T TDT 0.0000001461 0.55389 19.9234
351 4PLG NAI 0.001015 0.42793 20.0599
352 1GZ6 NAI 0.000001169 0.56132 20.0627
353 1ZBQ NAD 0.0000006769 0.56632 20.7951
354 3AY6 NAI 0.000001389 0.53385 20.8178
355 3AY6 BGC 0.00001518 0.4619 20.8178
356 1E3W NAD 0.0000001209 0.60621 21.0728
357 1E6W NAD 0.00000008665 0.61213 21.1538
358 1WVG APR 0.00000006007 0.64194 21.5517
359 1WVG CXY 0.000006237 0.56931 21.5517
360 2C29 NAP 0.0000004147 0.53092 21.6617
361 2C29 DQH 0.000001021 0.51755 21.6617
362 1UAY ADN 0.000003066 0.62248 22.314
363 1PR9 NAP 0.0000006495 0.43522 23.3607
364 3D3W NAP 0.000000837 0.43299 23.3607
365 2WSB NAD 0.00000005497 0.48718 24.4094
366 4U7W NDP 0.0000001567 0.43358 24.7126
367 5ITV NAI 0.0000001021 0.44555 25.098
368 4NBU NAI 0.0000001209 0.60105 25.2
369 3A4V PYR 0.000000000753 0.66012 25.552
370 3A4V NAD 0.000000000753 0.66012 25.552
371 3HB5 NAP 0.0000008363 0.50474 25.6881
372 4TQG NDP 0.0000003086 0.4312 25.6966
373 1GEG NAD 0.0000003147 0.5892 26.5625
374 5T2U NAP 0.000001116 0.43225 27.0161
375 1HDO NAP 0.000000466 0.56385 27.1845
376 1ZEM NAD 0.00000002035 0.65597 28.2443
377 1A27 NAP 0.00001198 0.52452 29.0657
378 4PVD NDP 0.0000003555 0.42249 30.4094
379 3NUG NAD 0.00000004801 0.45565 30.7692
380 4NBW NAD 0.00000008083 0.44096 31.9066
381 2X6T NAP 0.000000003658 0.66838 34.1954
382 2Q1W NAD 0.00000002726 0.62172 34.5345
383 1BXK NAD 0.00000000006859 0.50882 37.3563
384 1E7S NAP 0.0000001073 0.45475 37.3832
385 2C5A GDC 0.00000000006773 0.61824 37.6437
386 2C5A NAD 0.00000000006773 0.61824 37.6437
387 1I2B NAD 0.00000000008805 0.61058 38.2184
388 1I2B UPG 0.00007184 0.4649 38.2184
389 1I2B USQ 0.00007184 0.4649 38.2184
390 1EQ2 NAP 0.000000005868 0.65998 38.3871
391 1EQ2 ADQ 0.0009989 0.47188 38.3871
392 1OC2 TDX 0.00000000006022 0.6114 39.6552
393 1OC2 NAD 0.00000000006022 0.6114 39.6552
394 2Q1S NAI 0.000000000009275 0.59857 39.6552
395 1KEW TYD 0.00000000000113 0.6486 39.9425
396 1KEW NAD 0.000000000004934 0.63267 39.9425
397 1R6D DAU 0.000000000006968 0.63095 40.6528
398 1R6D NAD 0.000000000009264 0.63025 40.6528
399 5IN4 GDP 0.0000009914 0.54058 41.092
400 5IN4 NAP 0.000001086 0.54058 41.092
401 5IN4 6CK 0.000001296 0.53744 41.092
402 1RPN NDP 0.0000002351 0.56658 41.194
403 1RPN GDP 0.000847 0.48758 41.194
404 4GLL NAD 0.00000000003703 0.53134 41.8398
405 1SB8 UD2 0.00000000000004552 0.69422 41.954
406 1SB8 NAD 0.0000000000002854 0.65618 41.954
407 3LU1 NAD 0.0000000000165 0.76438 42.2414
408 3LU1 UD2 0.0000001278 0.64014 42.2414
409 1ORR NAD 0.0000000002218 0.51986 42.3631
410 2PK3 A2R 0.000000003062 0.73796 42.9907
411 2PK3 GDD 0.000002319 0.57277 42.9907
412 2PZM NAD 0.0000000006001 0.55004 43.6364
413 2PZM UDP 0.0000000006001 0.55004 43.6364
Pocket No.: 2; Query (leader) PDB : 1EK6; Ligand: UPG; 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: 1ek6.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1EK6; Ligand: NAI; Similar sites found: 274
This union binding pocket(no: 3) in the query (biounit: 1ek6.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4FN4 NAD 0.0000001962 0.44807 1.1811
2 5FTW SAH 0.01922 0.41033 1.5625
3 2VDV SAM 0.004423 0.45841 1.62602
4 1E5Q NDP 0.001174 0.44419 1.72414
5 3SJU NDP 0.0000004876 0.57426 1.79211
6 3OA2 NAD 0.0006758 0.45411 1.88679
7 1MUU NAD 0.003506 0.43257 2.01149
8 5JJR SAH 0.009299 0.4313 2.01149
9 1MV8 NAD 0.003803 0.42828 2.01149
10 2JAP NDP 0.0000002172 0.58834 2.02429
11 2JAH NDP 0.0000004409 0.57601 2.02429
12 4YCA NDP 0.01484 0.40295 2.04082
13 5XVQ SAH 0.02368 0.40104 2.11268
14 2PD4 DCN 0.00004304 0.403 2.18182
15 2PD4 NAD 0.00005415 0.40082 2.18182
16 4XQC NAD 0.0002874 0.43212 2.29885
17 4XQC 13D 0.0003052 0.42906 2.29885
18 3L9W AMP 0.002476 0.42565 2.29885
19 3L9W GSH 0.005169 0.41754 2.29885
20 4DPL NAP 0.0102 0.40308 2.29885
21 5KAX RHQ 0.01916 0.44124 2.40964
22 1N5D NDP 0.0000003726 0.44092 2.43056
23 2CVQ NDP 0.0008309 0.45039 2.44648
24 1WMA AB3 0.0000006404 0.52212 2.53623
25 1WMA NDP 0.0000006404 0.52212 2.53623
26 3EVG SAH 0.005434 0.4426 2.54545
27 3A4T SFG 0.0145 0.41333 2.55474
28 1HYH NAD 0.002781 0.42362 2.589
29 4Q9N NAI 0.00001124 0.40598 2.68456
30 5MDH NAD 0.0002967 0.47219 2.7027
31 2G5C NAD 0.005966 0.41259 2.84698
32 3OJO NAD 0.003559 0.43817 2.87356
33 1NYT NAP 0.009477 0.41378 2.95203
34 3GMB FAD 0.009227 0.40268 3.16092
35 1GEE NAD 0.0000001078 0.60574 3.44828
36 5U7W ADE 0.03664 0.42756 3.44828
37 2ZWA SAH 0.01978 0.40711 3.44828
38 2RGJ FAD 0.005692 0.40674 3.44828
39 2ZXI FAD 0.004486 0.4025 3.44828
40 3H4V DVP 0.0000009191 0.46617 3.47222
41 3H4V NAP 0.000001821 0.45621 3.47222
42 3O26 NDP 0.0000001718 0.44689 3.53698
43 1KYQ NAD 0.0006377 0.49196 3.64964
44 5VN0 NAI 0.003315 0.43083 3.73563
45 3GFB NAD 0.006389 0.41614 3.73563
46 1X14 NAD 0.0148 0.42464 3.74065
47 4OHU NAD 0.000011 0.45093 3.80623
48 4OHU 2TK 0.000011 0.45093 3.80623
49 5MGZ SAH 0.02696 0.40605 3.81356
50 4RDH AMP 0.008144 0.44103 3.81944
51 3V1Y NAD 0.00195 0.44068 3.85757
52 2UYQ SAM 0.0009994 0.51383 3.87097
53 3GU3 SAH 0.01084 0.44629 3.87324
54 4D42 NAP 0.00001787 0.44516 3.90071
55 4D42 W0I 0.00001787 0.44516 3.90071
56 1CER NAD 0.0008863 0.45531 3.92749
57 4O0L NDP 0.0000002071 0.58916 4
58 5L53 NAP 0.0000002306 0.4108 4.01235
59 2VUT NAD 0.01887 0.4107 4.02299
60 5I39 FAD 0.003968 0.4025 4.02299
61 1P77 ATR 0.005896 0.47011 4.04412
62 2AG5 NAD 0.0000001338 0.45229 4.06504
63 4K28 NAD 0.009053 0.41465 4.08922
64 5GT9 NAP 0.0000174 0.40076 4.18251
65 2PXX SAH 0.007404 0.43283 4.18605
66 1J49 NAD 0.003014 0.42724 4.2042
67 2WYV NAD 0.00001408 0.51959 4.21456
68 3LKZ SFG 0.008276 0.43053 4.36137
69 5L4S NAP 0.000001001 0.45176 4.40252
70 5L4S 6KX 0.000001001 0.45176 4.40252
71 3L4S NAD 0.001572 0.43101 4.46429
72 3L4S 3PG 0.00188 0.42549 4.46429
73 4J7U YTZ 0.000002395 0.45467 4.51389
74 4J7U NAP 0.000002395 0.45467 4.51389
75 1Z6Z NAP 0.000003194 0.41477 4.60993
76 2AE2 NAP 0.00000004233 0.49818 4.61538
77 2AE2 PTO 0.00000004233 0.49818 4.61538
78 1YXM ADE 0.00000935 0.63105 4.62046
79 1OMO NAD 0.004408 0.43107 4.65839
80 1XG5 NAP 0.000002837 0.42206 4.6595
81 4K26 NDP 0.000003367 0.54061 4.71014
82 4K26 SFF 0.0000005552 0.53852 4.71014
83 2B4Q NAP 0.0000004717 0.43654 4.71014
84 2EG5 SAH 0.0304 0.41523 4.88506
85 1Q7B NAP 0.0000003413 0.58536 4.91803
86 2ZAT NAP 0.000001059 0.56534 5
87 3VZS NAP 0.00000004058 0.55892 5.05837
88 3VZS CAA 0.0000008449 0.45774 5.05837
89 3OJF IMJ 0.00001284 0.43341 5.05837
90 3OJF NDP 0.00002462 0.41024 5.05837
91 4ITU 1HS 0.00000004344 0.50264 5.17241
92 4ITU NAI 0.00000004645 0.46912 5.17241
93 1P31 EPU 0.01042 0.4289 5.17241
94 2D2I NAP 0.00739 0.42389 5.17241
95 3CH6 311 0.0000007547 0.50008 5.24476
96 3CH6 NAP 0.0000007547 0.50008 5.24476
97 1W6U NAP 0.0000001051 0.43025 5.29801
98 2PV7 NAD 0.0006441 0.45804 5.36913
99 3OID NDP 0.000004142 0.42449 5.42636
100 4WA2 SIA GAL NAG 0.04137 0.42222 5.45977
101 3MQ2 SAH 0.01457 0.42497 5.50459
102 1IY8 NAD 0.00000002137 0.47273 5.61798
103 4OSP NAP 0.0000002 0.60001 5.70342
104 4OSP 2V4 0.007175 0.46532 5.70342
105 5CAE COA 0.002958 0.43872 5.74713
106 4KRI SAH 0.03543 0.40035 5.74713
107 3EGI ADP 0.03317 0.4277 5.82524
108 2DKN NAI 0.0000002015 0.44284 5.88235
109 1DJN ADP 0.002976 0.44166 6.03448
110 5H81 NAP 0.00665 0.42886 6.03448
111 4BUZ NAD 0.01501 0.40048 6.09756
112 1VE3 SAM 0.03024 0.40637 6.1674
113 3KB6 NAD 0.006823 0.41494 6.28743
114 4ZA2 NAD 0.0000001587 0.44491 6.32411
115 3OFK SAH 0.02473 0.40263 6.48148
116 1MXH DHF 0.000004146 0.43656 6.52174
117 1MXH NAP 0.000006495 0.43137 6.52174
118 4GKV NAD 0.004955 0.40695 6.54762
119 1Z82 NDP 0.006371 0.41619 6.56716
120 3A28 NAD 0.00000001088 0.64629 6.58915
121 5MSO NAP 0.0000000307 0.45207 6.89949
122 3AFN NAP 0.000001006 0.43801 6.97674
123 2I3G NAP 0.004431 0.4155 7.18391
124 2V6G NAP 0.00002392 0.40256 7.18391
125 4II2 ATP 0.005257 0.43664 7.22892
126 5JE8 NAD 0.001428 0.44952 7.28477
127 4OOE NDP 0.00325 0.4312 7.47126
128 2GV8 FAD 0.00387 0.41108 7.47126
129 1F8G NAD 0.02117 0.40575 7.47126
130 5W3X ACO 0.03771 0.42471 7.5
131 5CG1 NAD BBN 0.000273 0.42064 7.54098
132 2CFC NAD 0.00000006923 0.4533 8
133 4CQM NAP 0.0000000307 0.62794 8.04598
134 2EXX NAP 0.001303 0.42923 8.16993
135 3IHG FAD 0.01073 0.40218 8.2243
136 3RJ5 NAD 0.0000001457 0.56339 8.26772
137 2Q46 NAP 0.00001149 0.52727 8.3004
138 4FC7 COA 0.0000003242 0.47844 8.30325
139 4FC7 NAP 0.0000003242 0.47844 8.30325
140 2XVF FAD 0.005123 0.40037 8.33333
141 1Y8Q ATP 0.002706 0.44044 8.3815
142 1XSE NDP 0.0000001224 0.48567 8.47458
143 1QAN SAH 0.0233 0.40383 8.60656
144 4NBT NAD 0.00000001276 0.64943 8.75
145 1QG6 TCL 0.0000115 0.43862 8.81226
146 1QG6 NAD 0.0000115 0.43862 8.81226
147 5L4L 7OX 0.00007461 0.40429 8.88158
148 1XKQ NDP 0.000002988 0.53445 8.92857
149 1FK8 NAD 0.000001121 0.41446 8.94942
150 3JQG NAP 0.000001446 0.5693 9.02778
151 3JQB NAP 0.00000174 0.56593 9.02778
152 3BMN NAP 0.000001093 0.56478 9.02778
153 3JQ8 NAP 0.000001134 0.56413 9.02778
154 4CM4 NAP 0.000001598 0.56269 9.02778
155 4CM8 NAP 0.000001876 0.55981 9.02778
156 5JCJ NAP 0.000001984 0.55881 9.02778
157 4CMI NAP 0.000002146 0.5574 9.02778
158 3JQ7 NAP 0.000003443 0.55348 9.02778
159 3BMQ NAP 0.0000006533 0.43028 9.02778
160 3JQF NAP 0.0000007225 0.42908 9.02778
161 4CME NAP 0.0000005745 0.42827 9.02778
162 5K6A NAP 0.0000008055 0.42768 9.02778
163 4CM9 NAP 0.0000008375 0.42757 9.02778
164 3JQ9 NAP 0.0000009094 0.42718 9.02778
165 3JQG AX6 0.04452 0.41947 9.02778
166 4CLO NAP 0.0000008591 0.41903 9.02778
167 4CLR NAP 0.00000136 0.41818 9.02778
168 3BMO NAP 0.000001593 0.41684 9.02778
169 5JDI NAP 0.000001806 0.4159 9.02778
170 3JQA NAP 0.000001231 0.41499 9.02778
171 5JDC NAP 0.000001914 0.41468 9.02778
172 4HXY NDP 0.000000001309 0.49664 9.36073
173 2VZ0 NAP 0.00001319 0.47244 9.70149
174 2VZ0 D64 0.00001319 0.47244 9.70149
175 2WD7 NAP 0.000001431 0.41782 9.70149
176 1LSS NAD 0.0005432 0.48251 10
177 4PIV NDP 0.000001356 0.42576 10.6322
178 1NFQ NAI 0.00000000693 0.48831 10.7692
179 2VYN NAD 0.006742 0.41275 10.7784
180 1AE1 NAP 0.0000005418 0.44674 10.989
181 2BD0 NAP 0.0000001244 0.45712 11.0656
182 3MJE NDP 0.00000001415 0.46957 11.4919
183 1W73 NAP 0.00000008621 0.63882 11.5894
184 1W8D NAP 0.0000001732 0.42612 11.5894
185 2BOS GLA GAL 0.01484 0.41816 11.7647
186 2FR1 NDP 0.000000001127 0.67373 11.9342
187 3QWI CUE 0.000001279 0.46067 12.963
188 3QWI NAP 0.000001033 0.43605 12.963
189 1H5Q NAP 0.00000002129 0.62878 13.5849
190 5E8J SAH 0.02365 0.42089 13.6364
191 4QED NAP 0.0000002432 0.44273 13.7097
192 3ORF NAD 0.0000004393 0.58588 13.9442
193 1O5I NAD 0.0001765 0.50972 14.0562
194 1N7G GDR 0.0000000006599 0.57533 14.3678
195 1N7G NDP 0.00001686 0.41234 14.3678
196 3I6I NDP 0.0001084 0.40006 14.4509
197 1Y1P NMN AMP PO4 0.0000003845 0.61618 14.9123
198 3TLJ SAH 0.02242 0.40212 15.8046
199 2DT5 NAD 0.002534 0.43036 16.1137
200 4R1S NAP 0.00000001694 0.45627 16.3205
201 5MPT SAH 0.007106 0.43696 16.3793
202 2Q2V NAD 0.000002529 0.43073 16.8627
203 4J1Q NDP 0.000000005791 0.46683 17.2414
204 4YAG NAI 0.0000001689 0.48777 17.301
205 2HK9 ATR 0.001858 0.48736 17.4545
206 2HK9 NAP 0.01403 0.404 17.4545
207 3WMX NAD 0.0000000002478 0.73501 17.8161
208 5ULP KB1 0.006432 0.42381 17.9104
209 3WXB NDP 0.0000004178 0.57695 17.9211
210 1VL8 NAP 0.0000001673 0.58318 18.3521
211 2YY7 NAD 0.0000000007524 0.50312 18.5897
212 5THQ NDP 0.00000005404 0.45681 18.75
213 1VL0 NAI 0.0000000356 0.45101 19.5205
214 1RKX NAD 0.000000001932 0.50095 19.5402
215 4QTU SAM 0.01911 0.41322 19.7115
216 1U7T NAD 0.000000009989 0.66005 19.9234
217 1U7T TDT 0.00000001621 0.58467 19.9234
218 1GZ6 NAI 0.0000001882 0.59083 20.0627
219 1ZBQ NAD 0.0000002594 0.58043 20.7951
220 3AY6 NAI 0.0000002272 0.56049 20.8178
221 3AY6 BGC 0.000003014 0.48194 20.8178
222 1E3W NAD 0.00000001115 0.64584 21.0728
223 1E6W NAD 0.00000000834 0.65098 21.1538
224 2C29 NAP 0.0000002593 0.53545 21.6617
225 2C29 DQH 0.0000006698 0.52146 21.6617
226 3GXW SIN 0.03172 0.44224 22.3301
227 1PR9 NAP 0.0000005042 0.44599 23.3607
228 3D3W NAP 0.0000007493 0.44204 23.3607
229 2WSB NAD 0.00000001466 0.51073 24.4094
230 4U7W NDP 0.0000002425 0.43771 24.7126
231 5ITV NAI 0.00000001435 0.47451 25.098
232 4NBU NAI 0.00000001665 0.47517 25.2
233 3A4V PYR 0.0000000003133 0.67135 25.552
234 3A4V NAD 0.0000000003133 0.67135 25.552
235 4TQG NDP 0.00000007201 0.4536 25.6966
236 1GEG NAD 0.00000005062 0.6191 26.5625
237 5T2U NAP 0.0000003101 0.45225 27.0161
238 1HDO NAP 0.0000001706 0.57821 27.1845
239 1ZEM NAD 0.000000005321 0.67817 28.2443
240 4PVD NDP 0.0000003284 0.42863 30.4094
241 3NUG NAD 0.00000001017 0.47962 30.7692
242 4NBW NAD 0.00000001239 0.46583 31.9066
243 2X6T NAP 0.00000001419 0.46686 34.1954
244 2Q1W NAD 0.00000001417 0.62491 34.5345
245 1BXK NAD 0.000000000008189 0.53901 37.3563
246 2C5A GDC 0.00000000007051 0.61451 37.6437
247 2C5A NAD 0.00000000007051 0.61451 37.6437
248 1I2B NAD 0.0001105 0.4625 38.2184
249 1I2B UPG 0.0001105 0.4625 38.2184
250 1I2B USQ 0.0001105 0.4625 38.2184
251 1EQ2 NAP 0.00000001243 0.64393 38.3871
252 1EQ2 ADQ 0.003143 0.44705 38.3871
253 1OC2 TDX 0.0000000000006687 0.66378 39.6552
254 1OC2 NAD 0.0000000000006687 0.66378 39.6552
255 2Q1S NAI 0.0001597 0.44685 39.6552
256 1KEW TYD 0.00000000000001488 0.71501 39.9425
257 1KEW NAD 0.0000000000001387 0.68969 39.9425
258 1R6D DAU 0.00000424 0.50905 40.6528
259 1R6D NAD 0.000006343 0.50416 40.6528
260 5IN4 GDP 0.00000003284 0.59869 41.092
261 5IN4 NAP 0.00000003882 0.59767 41.092
262 5IN4 6CK 0.00000003754 0.59767 41.092
263 1RPN NDP 0.0000002682 0.562 41.194
264 1RPN GDP 0.0001582 0.52175 41.194
265 4GLL NAD 0.000000000008922 0.55415 41.8398
266 1SB8 UD2 0.000001243 0.52728 41.954
267 1SB8 NAD 0.000002414 0.51261 41.954
268 3LU1 NAD 0.000000000002461 0.79469 42.2414
269 3LU1 UD2 0.00000000847 0.69053 42.2414
270 1ORR NAD 0.00000000006062 0.54286 42.3631
271 2PK3 A2R 0.000000002916 0.73612 42.9907
272 2PK3 GDD 0.000000237 0.61352 42.9907
273 2PZM NAD 0.0000000005182 0.56068 43.6364
274 2PZM UDP 0.0000000005182 0.56068 43.6364
Pocket No.: 4; Query (leader) PDB : 1EK6; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1ek6.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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