Receptor
PDB id Resolution Class Description Source Keywords
1RKX 1.8 Å EC: 4.2.1.45 CRYSTAL STRUCTURE AT 1.8 ANGSTROM OF CDP-D-GLUCOSE 4,6- DEHYDRATASE FROM YERSINIA PSEUDOTUBERCULOSIS YERSINIA PSEUDOTUBERCULOSIS DEHYDRATASE SDR CDP GLUCOSE DEHYDRATASE LYASE
Ref.: CRYSTAL STRUCTURE AT 1.8 A RESOLUTION OF CDP-D-GLUCOSE 4,6-DEHYDRATASE FROM YERSINIA PSEUDOTUBERCULOSIS BIOCHEMISTRY V. 43 3057 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:360;
B:360;
C:360;
D:360;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RKX 1.8 Å EC: 4.2.1.45 CRYSTAL STRUCTURE AT 1.8 ANGSTROM OF CDP-D-GLUCOSE 4,6- DEHYDRATASE FROM YERSINIA PSEUDOTUBERCULOSIS YERSINIA PSEUDOTUBERCULOSIS DEHYDRATASE SDR CDP GLUCOSE DEHYDRATASE LYASE
Ref.: CRYSTAL STRUCTURE AT 1.8 A RESOLUTION OF CDP-D-GLUCOSE 4,6-DEHYDRATASE FROM YERSINIA PSEUDOTUBERCULOSIS BIOCHEMISTRY V. 43 3057 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1RKX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1RKX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1WVG - CXY C14 H23 N3 O15 P2 C1[C@H]([C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1RKX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1WVG - CXY C14 H23 N3 O15 P2 C1[C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 1RKX; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1rkx.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1RKX; Ligand: NAD; Similar sites found: 402
This union binding pocket(no: 2) in the query (biounit: 1rkx.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LST SAH 0.01364 0.41386 0.574713
2 2BD0 NAP 0.0000000009081 0.64593 0.819672
3 3ZV6 4HB 0.00000001831 0.6163 1.06762
4 3ZV6 NAD 0.00000001655 0.6163 1.06762
5 4EUE NAI 0.00001906 0.48443 1.40056
6 2V3A FAD 0.003423 0.40715 1.40056
7 2V3B FAD 0.003433 0.40601 1.40056
8 1CER NAD 0.00219 0.41683 1.51057
9 4E5N NAD 0.0008886 0.42067 1.51515
10 1ZBQ NAD 0.000001524 0.52542 1.52905
11 3SSO SAH 0.00286 0.41227 1.68067
12 2AQJ FAD 0.009997 0.40482 1.68067
13 2AQJ TRP 0.009618 0.40482 1.68067
14 5U5G NAP 0.00151 0.4063 1.69492
15 1LLU NAD 0.001931 0.412 1.75439
16 1HDO NAP 0.00000001949 0.60041 1.94175
17 1PJS NAD 0.00007797 0.4125 1.96078
18 4DMG SAM 0.01778 0.41184 1.96078
19 2E5V FAD 0.004999 0.40577 1.96078
20 3G5S FAD 0.00395 0.40369 1.96078
21 3HDY FAD 0.01294 0.40155 1.96078
22 2Q46 NAP 0.00000009367 0.55892 1.97628
23 3I6I NDP 0.000009377 0.5054 2.02312
24 2BKA NDP 0.0000005768 0.52998 2.06612
25 5DOZ NDP 0.003069 0.40309 2.07101
26 4J7U NAP 0.0000003407 0.56692 2.08333
27 4J7U YTZ 0.0000003407 0.56692 2.08333
28 1PZG A3D 0.0003775 0.44265 2.1148
29 5MGZ SAH 0.009163 0.40854 2.11864
30 1B8U OAA 0.002021 0.40872 2.12766
31 1B8U NAD 0.0002125 0.40571 2.12766
32 1H9A NAP 0.0007251 0.42806 2.2409
33 5MPT SAH 0.008689 0.41277 2.2409
34 1U8X NAD 0.00355 0.40847 2.2409
35 4XFR CIT 0.02893 0.40718 2.2409
36 3Q9T FAY 0.004473 0.40269 2.2409
37 1FEC FAD 0.007055 0.40256 2.2409
38 1H5Q NAP 0.000000005198 0.6153 2.26415
39 5EPO NAP 0.000004856 0.50102 2.29008
40 1U7T TDT 0.00000003397 0.6042 2.29885
41 1U7T NAD 0.00000001615 0.58167 2.29885
42 5H81 NAP 0.003232 0.42199 2.31362
43 3SJ7 NDP 0.000000004369 0.60742 2.38095
44 2CFC NAD 0.000000005215 0.60447 2.4
45 3O03 NAP 0.00000005155 0.55877 2.4055
46 5T2U NAP 0.00000001776 0.59983 2.41935
47 1GZ6 NAI 0.000001685 0.52192 2.50784
48 4HXY NDP 0.00000001913 0.59425 2.52101
49 5LD5 NAD 0.007189 0.40424 2.52101
50 4OOE NDP 0.001296 0.40128 2.52101
51 1SAY PYR 0.003847 0.4007 2.52101
52 1BDB NAD 0.00000002668 0.57372 2.52708
53 4D79 ATP 0.001734 0.44457 2.53623
54 5HJM MTA 0.00947 0.4079 2.55682
55 1GUZ NAD 0.0004844 0.42409 2.58065
56 4ITU 1HS 0.00000002893 0.60858 2.60223
57 4ITU NAI 0.00000002404 0.5949 2.60223
58 4KWI 1TJ 0.00000002694 0.6081 2.6616
59 4KWI NAP 0.00000002432 0.6081 2.6616
60 4MDH NAD 0.0001212 0.44099 2.69461
61 1OAA OAA 0.00000003795 0.60561 2.7027
62 5MDH NAD 0.00007014 0.44889 2.7027
63 2HJR APR 0.00004268 0.44139 2.7439
64 2CVQ NDP 0.0008113 0.41534 2.75229
65 5UAV TFB 0.003533 0.40443 2.79503
66 5UAV NDP 0.003533 0.40443 2.79503
67 4PIV NDP 0.000002389 0.51628 2.80112
68 1RM0 NAI 0.0003385 0.45357 2.80112
69 1RM0 D6P 0.001014 0.43768 2.80112
70 1VKO NAD 0.0008018 0.42373 2.80112
71 2IXB A2G 0.001299 0.4233 2.80112
72 5MQ6 NDP 0.004303 0.41362 2.80112
73 2IXB NAD 0.001865 0.40869 2.80112
74 5JCM FAD 0.01037 0.40677 2.80112
75 5JCM NAD 0.01074 0.40677 2.80112
76 5JCM ISD 0.01078 0.40671 2.80112
77 3AXB FAD 0.004322 0.40219 2.80112
78 3AXB PRO 0.005842 0.40219 2.80112
79 3C1O NAP 0.0008194 0.40185 2.80374
80 4D42 NAP 0.00001055 0.51743 2.83688
81 4D42 W0I 0.00001055 0.51743 2.83688
82 2FR1 NDP 0.00000002128 0.59475 2.88066
83 3WGT FAD 0.003756 0.41425 2.88184
84 3WGT QSC 0.003948 0.41425 2.88184
85 4W6Z 8ID 0.003168 0.40623 2.88184
86 2YY7 NAD 0.00000002495 0.58996 2.88462
87 5ULP KB1 0.004668 0.40922 2.98507
88 2DBZ NAP 0.0006731 0.41928 2.99401
89 1VL8 NAP 0.00000001485 0.58243 2.99625
90 3EB9 FLC 0.01279 0.41896 3.00752
91 4OSP NAP 0.00000002961 0.57752 3.04183
92 1QG6 TCL 0.0000328 0.49101 3.06513
93 1QG6 NAD 0.0000328 0.49101 3.06513
94 2AE2 NAP 0.00000005471 0.5945 3.07692
95 2AE2 PTO 0.00000005471 0.52147 3.07692
96 4U7W NDP 0.0000000001133 0.65672 3.08123
97 2WSB NAD 0.00000001741 0.61371 3.08123
98 1V35 NAI 0.00001875 0.49793 3.08123
99 1COY FAD 0.003454 0.4101 3.08123
100 2WET FAD 0.00458 0.40535 3.08123
101 1COY AND 0.01164 0.40075 3.08123
102 5ITV NAI 0.0000000207 0.59298 3.13725
103 2DKN NAI 0.00000001612 0.58677 3.13725
104 1J5P NAD 0.001142 0.40809 3.16206
105 3ORF NAD 0.000001083 0.52043 3.18725
106 2EWM NAD 0.00000002247 0.59165 3.21285
107 5T96 79J 0.04522 0.4045 3.21637
108 1HYH NAD 0.002924 0.40142 3.23625
109 2BGM NAJ 0.000000002357 0.6044 3.23741
110 2AG5 NAD 0.0000006838 0.53252 3.25203
111 1MXH NAP 0.0000007247 0.54802 3.26087
112 1MXH DHF 0.0000008846 0.5447 3.26087
113 2EXX NAP 0.0001408 0.45491 3.26797
114 4PLG NAI 0.0003188 0.44545 3.29341
115 4PLG OXM 0.0162 0.40651 3.29341
116 1O6Z NAD 0.0005746 0.40725 3.30033
117 1SOW NAD 0.000244 0.44305 3.35366
118 4J1Q NDP 0.000000009368 0.58823 3.36134
119 4R5M NAP 0.0009663 0.41276 3.36134
120 4R5M 4NO 0.001551 0.41166 3.36134
121 1H82 GZZ 0.008789 0.40844 3.36134
122 1H82 FAD 0.008653 0.40598 3.36134
123 4G74 UQ5 0.006457 0.40493 3.36134
124 4G74 FAD 0.003525 0.40446 3.36134
125 2Z3Y F2N 0.006871 0.40037 3.36134
126 1E3W NAD 0.000000007924 0.60325 3.44828
127 1E6W NAD 0.000000009434 0.61152 3.46154
128 2ZAT NAP 0.0000000932 0.56432 3.46154
129 2HMT NAI 0.00005821 0.43252 3.47222
130 1X87 NAD 0.0002864 0.41463 3.62976
131 1JA9 NDP 0.0000001301 0.56536 3.64146
132 3ABI NAD 0.0002089 0.44098 3.64146
133 1U1I NAD 0.000641 0.43008 3.64146
134 1GET NAP 0.01598 0.4014 3.64146
135 1LDM NAD 0.0004214 0.42968 3.64742
136 5T9F TYR 0.000331 0.44483 3.69004
137 5T9F NAP 0.0003463 0.44281 3.69004
138 5T9E NAP 0.0004506 0.41934 3.69004
139 4Q9N NAI 0.000005148 0.50388 3.69128
140 1IY8 NAD 0.0000000007318 0.64696 3.74532
141 2GDZ NAD 0.00000001959 0.58907 3.74532
142 3ZNN 4WL 0.008133 0.40708 3.7464
143 3ZNN FAD 0.008133 0.40708 3.7464
144 4O1M NAD 0.000006863 0.49577 3.80952
145 3JUT GTQ 0.01073 0.47362 3.84615
146 5KKA 6V0 0.0004225 0.43413 3.84615
147 1GV0 NAD 0.0002899 0.43547 3.87097
148 3VZS NAP 0.000000005735 0.63933 3.89105
149 4NBW NAD 0.00000001619 0.58178 3.89105
150 1FK8 NAD 0.00000001269 0.57379 3.89105
151 3VZS CAA 0.00000004925 0.43379 3.89105
152 9LDT NAD 0.0003681 0.43491 3.91566
153 9LDB NAD 0.0003725 0.43472 3.91566
154 1GTE FAD 0.005124 0.41735 3.92157
155 3UOY NAP 0.008078 0.41312 3.92157
156 5U7W ADE 0.03521 0.41067 3.92157
157 3WXB NDP 0.00000003203 0.58593 3.94265
158 5F8F SFG 0.01383 0.41007 3.97878
159 2PD4 DCN 0.00002933 0.48211 4
160 2PD4 NAD 0.00003062 0.4814 4
161 1UZN NAP 0.000006303 0.43192 4.04858
162 1E7S NAP 0.00000003364 0.58731 4.04984
163 3QWI CUE 0.00000009463 0.58695 4.07407
164 3QWI NAP 0.0000001182 0.56692 4.07407
165 4YMH SAH 0.01004 0.40376 4.16667
166 2JL1 NAP 0.00001993 0.44753 4.18118
167 5JAQ NAI 0.000179 0.45755 4.20168
168 1HKU NAD 0.002048 0.40717 4.20168
169 4DPL NAP 0.002323 0.4025 4.20168
170 3BAZ NAP 0.0009658 0.43416 4.2042
171 1UXG NAD 0.0005175 0.43863 4.20712
172 1BW9 NAD 0.002388 0.42762 4.21348
173 1C1X NAD 0.003172 0.41042 4.22535
174 1NFQ NAI 0.000000005082 0.61798 4.23077
175 1XKQ NDP 0.00000002382 0.59505 4.28571
176 4O0L NDP 0.0000000259 0.58936 4.36364
177 4YCA NDP 0.005752 0.40012 4.42177
178 2V6G NAP 0.000003639 0.50948 4.48179
179 5DN9 NAD 0.001218 0.41827 4.48179
180 4D7E FAD 0.001913 0.41457 4.48179
181 1A27 NAP 0.0000005417 0.53589 4.49827
182 2I3G NAP 0.0004845 0.43047 4.54545
183 4NEC SAH 0.006763 0.42482 4.54545
184 1A5Z NAD 0.0003564 0.4078 4.70219
185 1UWK URO 0.0002881 0.45632 4.7619
186 1UWK NAD 0.0002881 0.45632 4.7619
187 1E5Q NDP 0.001158 0.41119 4.7619
188 4YSX FAD 0.004064 0.40636 4.7619
189 3VPH NAD 0.000499 0.43283 4.83871
190 3VPH OXM 0.0007541 0.4287 4.83871
191 3OIG NAD 0.00001734 0.4745 4.88722
192 1EDO NAP 0.000000003239 0.62529 4.91803
193 1HDR NAD 0.00003296 0.49668 4.91803
194 1G55 SAH 0.006143 0.41628 4.95627
195 1JXN MFU 0.0188 0.42282 4.95868
196 1ZEM NAD 0.00000000262 0.6017 4.96183
197 4PVD NDP 0.00000004952 0.55823 4.97076
198 5MSO NAP 0.0000000001284 0.64753 5.04202
199 1UAY ADN 0.0000002027 0.46092 5.04202
200 2B4Q NAP 0.0000001932 0.5527 5.07246
201 1AE1 NAP 0.0000001671 0.56329 5.12821
202 5THQ NDP 0.000000008652 0.602 5.14706
203 2CUL FAD 0.0006694 0.43066 5.17241
204 4K28 NAD 0.005834 0.4025 5.20446
205 3NUG NAD 0.000000001472 0.63568 5.26316
206 2VDV SAM 0.004832 0.43573 5.28455
207 2C5A NAD 0.000000005182 0.65339 5.32213
208 2C5A GDC 0.000000005182 0.48899 5.32213
209 2GZ3 NAP 0.0003076 0.45823 5.32213
210 3T31 FAD 0.003625 0.41978 5.32213
211 3T31 DCQ 0.004398 0.4179 5.32213
212 5UAO FAD 0.003108 0.40877 5.32213
213 2VHW NAI 0.003172 0.40621 5.32213
214 3U4C NDP 0.000002138 0.50968 5.33808
215 1X1T NAD 0.00000009482 0.57253 5.38462
216 4NBT NAD 0.00000001963 0.58396 5.41667
217 5L53 NAP 0.00000005051 0.53331 5.55556
218 2ZXI FAD 0.003905 0.40388 5.60224
219 2A92 NAI 0.0004437 0.43334 5.60748
220 2JAP NDP 0.000000009639 0.60532 5.66802
221 2JAH NDP 0.00000001312 0.60034 5.66802
222 5GT9 NAP 0.0000004048 0.54495 5.70342
223 2PV7 NAD 0.0003967 0.42621 5.7047
224 1GEE NAD 0.00000001745 0.59091 5.74713
225 1XSE NDP 0.000000004611 0.63599 5.76271
226 2V6O FAD 0.0124 0.40826 5.88235
227 1T26 NAI 0.0003126 0.4517 5.90062
228 1N5D NDP 0.00000003943 0.58257 5.90278
229 4CLO NAP 0.0000001261 0.57978 5.90278
230 4CME NAP 0.0000002413 0.56344 5.90278
231 4CM4 NAP 0.000000246 0.56312 5.90278
232 4CM8 NAP 0.0000002704 0.56154 5.90278
233 4CMI NAP 0.0000003264 0.5584 5.90278
234 5JDC NAP 0.0000003324 0.5581 5.90278
235 5JCJ NAP 0.0000003328 0.55807 5.90278
236 3BMQ NAP 0.0000001752 0.55411 5.90278
237 3JQ7 NAP 0.0000005718 0.55411 5.90278
238 3JQ8 NAP 0.0000001979 0.5522 5.90278
239 4CM9 NAP 0.0000002091 0.55136 5.90278
240 3BMN NAP 0.0000002405 0.54912 5.90278
241 3JQF NAP 0.000000249 0.54856 5.90278
242 5K6A NAP 0.0000002834 0.54654 5.90278
243 3JQ9 NAP 0.0000003166 0.54475 5.90278
244 3JQA NAP 0.0000001823 0.54421 5.90278
245 4CLR NAP 0.0000002649 0.54302 5.90278
246 5JDI NAP 0.0000002756 0.54249 5.90278
247 3JQB NAP 0.0000002147 0.54166 5.90278
248 3BMO NAP 0.0000002914 0.54162 5.90278
249 3JQG NAP 0.0000002471 0.5395 5.90278
250 3CH6 311 0.00000009882 0.61049 5.94406
251 3CH6 NAP 0.00000009882 0.61049 5.94406
252 4GKV NAD 0.002076 0.41082 5.95238
253 5JE8 NAD 0.001056 0.4326 5.96026
254 2DTX BMA 0.000000001337 0.65481 6.06061
255 1WMA AB3 0.00000007205 0.59474 6.15942
256 1WMA NDP 0.00000007205 0.49746 6.15942
257 1ZK7 FAD 0.005271 0.40669 6.16247
258 3A28 NAD 0.00000001246 0.60695 6.20155
259 3OID NDP 0.00000008043 0.57521 6.20155
260 1YB5 NAP 0.002789 0.40598 6.26781
261 3ICC NAP 0.00000002748 0.59059 6.27451
262 2VZ0 D64 0.000002563 0.56453 6.34328
263 2VZ0 NAP 0.000002563 0.56453 6.34328
264 2WD7 NAP 0.0000002427 0.54441 6.34328
265 2WYV NAD 0.00002915 0.47285 6.51341
266 5L4L NAP 0.00001105 0.46824 6.57895
267 5L4L 7OX 0.0001751 0.45539 6.57895
268 3AFN NAP 0.0000000391 0.58697 6.58915
269 4RDH AMP 0.003926 0.43601 6.59722
270 1LDN NAD 0.0005028 0.42987 6.64557
271 5FA5 MTA 0.003048 0.44122 6.72269
272 1N4W FAD 0.003392 0.41236 6.72269
273 3O9Z NAD 0.003411 0.41413 6.73077
274 4NBU NAI 0.00000001133 0.60271 6.8
275 2F1K NAP 0.00105 0.40766 6.81004
276 1EZ4 NAD 0.0006128 0.41388 6.91824
277 1Q7B NAP 0.00000002924 0.58242 6.96721
278 3L9W AMP 0.002051 0.40715 7.28291
279 3GEG NAD 0.00000001162 0.5855 7.28745
280 1FL2 FAD 0.005806 0.40036 7.41935
281 3AY6 BGC 0.00000004508 0.61164 7.43494
282 3AY6 NAI 0.00000001519 0.61047 7.43494
283 5DX8 SFG 0.003554 0.41711 7.44986
284 5DXA SFG 0.003724 0.41626 7.44986
285 1SNY NAP 0.0000004621 0.52563 7.49064
286 1I0Z NAI 0.0002249 0.43966 7.50751
287 1LTH NAD 0.0006412 0.40743 7.52351
288 1XG5 NAP 0.0000001787 0.55816 7.52688
289 1VL0 NAI 0.000000006239 0.58661 7.53425
290 4YEE 4CQ 0.03298 0.40987 7.77778
291 3HB5 NAP 0.00000007112 0.48023 7.95107
292 1O5I NAD 0.000115 0.42247 8.03213
293 3OJF NDP 0.000006332 0.50732 8.17121
294 3OJF IMJ 0.00001082 0.50719 8.17121
295 1Y1P NMN AMP PO4 0.0000001017 0.6078 8.18713
296 2Q2V NAD 0.00000006249 0.57932 8.23529
297 3OFK SAH 0.01325 0.4076 8.33333
298 2NAD NAD 0.002021 0.41248 8.40336
299 1D7O NAD 0.000004416 0.51641 8.41751
300 5L95 AMP 0.0001984 0.48259 8.60215
301 4K26 NDP 0.00000004966 0.57884 8.69565
302 4K26 SFF 0.0000001435 0.57667 8.69565
303 1SB8 UD2 0.0000000001299 0.71596 8.80682
304 1SB8 NAD 0.0000000001113 0.71184 8.80682
305 4ZGS NAD 0.0009289 0.40068 8.96359
306 4FN4 NAD 0.00000001201 0.59669 9.05512
307 1I2B NAD 0.0000000003739 0.7007 9.2437
308 1I2B UPG 0.00007367 0.52353 9.2437
309 1I2B USQ 0.00007367 0.52353 9.2437
310 4QED NAP 0.00000006714 0.5695 9.27419
311 4D3F NAP 0.0005661 0.40245 9.35484
312 3G2O SAM 0.001954 0.44221 9.36455
313 5L4S NAP 0.0000002786 0.56223 9.43396
314 5L4S 6KX 0.0000002786 0.56223 9.43396
315 2X6T NAP 0.000000008372 0.60152 9.52381
316 2GSD NAD 0.001857 0.41387 9.52381
317 2QZZ EMF 0.004145 0.40396 9.74843
318 2QZZ NAP 0.003885 0.40396 9.74843
319 1EQ2 NAP 0.00000001231 0.59545 10
320 5F5N NAD 0.00002117 0.49698 10.0346
321 1VM6 NAD 0.0007664 0.40734 10.0877
322 1PL6 572 0.002501 0.40526 10.1124
323 1PL6 NAD 0.0003504 0.40267 10.1124
324 1GEG NAD 0.0000000323 0.57992 10.1562
325 1G0N PHH 0.00000004861 0.59817 10.6007
326 1G0N NDP 0.0000000366 0.59772 10.6007
327 1Q0H NDP 0.003198 0.41702 10.6443
328 1Q0H FOM 0.002943 0.41665 10.6443
329 5CAE COA 0.0005688 0.44693 10.9244
330 3RJ5 NAD 0.000000007575 0.62394 11.0236
331 4YAG NAI 0.0000000367 0.60456 11.4187
332 3H4V DVP 0.0000004777 0.56121 11.4583
333 3H4V NAP 0.000001029 0.54679 11.4583
334 3MJE NDP 0.000000007975 0.60289 11.4919
335 3TN7 NJP 0.000000004208 0.61871 11.6732
336 1ZK4 NAP 0.000000009711 0.61592 12.3506
337 1I8T FAD 0.005271 0.40098 12.605
338 4FC7 COA 0.00000001803 0.61657 12.6354
339 4FC7 NAP 0.00000001803 0.61657 12.6354
340 1Z6Z NAP 0.0000003546 0.54262 13.1206
341 4TQG NDP 0.0000000004996 0.64156 13.3127
342 1JNR FAD 0.01334 0.40747 13.3333
343 3O26 NDP 0.0000001436 0.55721 13.8264
344 3A06 NDP 0.0008755 0.42497 14.0056
345 3A06 FOM 0.001022 0.42492 14.0056
346 4R1S NAP 0.000000002257 0.60383 14.5401
347 2Q1W NAD 0.00000001122 0.60513 15.4062
348 1W6U NAP 0.000000002146 0.59146 15.5629
349 4ZA2 NAD 0.00000007067 0.56423 15.8103
350 1W8D NAP 0.000000001207 0.59918 16.2252
351 1W73 NAP 0.000000002491 0.58973 16.2252
352 2C29 NAP 0.00000002697 0.6114 16.9139
353 2C29 DQH 0.0000001084 0.58782 16.9139
354 3RFV NAI 0.0000000001883 0.64879 17.603
355 3RFV 15L 0.00000002637 0.56542 17.603
356 2GN4 UD1 0.000000003744 0.70352 17.7326
357 2GN4 NDP 0.000000003349 0.70317 17.7326
358 3GGO ENO 0.001622 0.42284 18.4713
359 3GGO NAI 0.001622 0.42284 18.4713
360 3SJU NDP 0.000000002348 0.62813 18.638
361 3LU1 NAD 0.00000000002797 0.69258 18.6813
362 3WMX NAD 0.00000004223 0.56313 18.7675
363 1HYE NAP 0.00006392 0.43479 18.8498
364 1EK6 UPG 0.000000007637 0.64939 19.5402
365 1EK6 NAI 0.000000001932 0.50095 19.5402
366 2RH4 EMO 0.000000001597 0.66279 20.2166
367 2G5C NAD 0.0008116 0.41383 20.6406
368 2DC1 NAD 0.000553 0.41931 20.7627
369 3V1U NAD 0.00000001504 0.57225 21.0084
370 4CQM NAP 0.00000000153 0.62917 21.4559
371 2Q1S NAI 0.000000005517 0.63829 23.8095
372 1ORR NAD 0.00000000002114 0.70961 25.072
373 3D3W NAP 0.000000009367 0.61026 29.0984
374 1PR9 NAP 0.00000001107 0.60754 29.0984
375 1WP4 NDP 0.001349 0.40538 29.4118
376 5E8J SAH 0.00599 0.43121 29.5455
377 1R6D NAD 0.0000000001142 0.71982 32.0475
378 1R6D DAU 0.0000000001534 0.71308 32.0475
379 3KO8 NAD 0.00000000008532 0.68431 33.3333
380 1GY8 NAD 0.0000000005513 0.65154 33.3333
381 1XHL NDP 0.00000001738 0.59803 33.67
382 2PZM NAD 0.00000001042 0.62753 34.2424
383 2PZM UDP 0.00000001042 0.62753 34.2424
384 3A4V NAD 0.000000001323 0.64884 35.0158
385 3A4V PYR 0.000000001323 0.59516 35.0158
386 1N7G GDR 0.000000002909 0.66629 36.9748
387 1N7G NDP 0.0000000107 0.658 36.9748
388 1UDB NAD 0.000000000498 0.69105 37.8698
389 1BXK NAD 0.00000000008458 0.66823 38.3099
390 1KEW TYD 0.00000000008449 0.72007 38.3754
391 1KEW NAD 0.0000000003027 0.69967 38.3754
392 1Z45 NAD 0.0000000005696 0.64477 38.6555
393 4GLL NAD 0.000000000139 0.67639 39.4659
394 5IN4 6CK 0.00000006385 0.67428 40.8964
395 5IN4 NAP 0.00000006552 0.67428 40.8964
396 5IN4 GDP 0.00000006469 0.67299 40.8964
397 1OC2 NAD 0.0000000002208 0.71143 41.6667
398 1OC2 TDX 0.0000000002208 0.51274 41.6667
399 1RPN NDP 0.000000001264 0.64959 41.791
400 4ZRN NAD 0.00000000001588 0.67576 42.6282
401 4ZRN UPG 0.0000000002481 0.53598 42.6282
402 2PK3 A2R 0.0000000003863 0.57984 42.9907
Pocket No.: 3; Query (leader) PDB : 1RKX; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1rkx.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1RKX; Ligand: NAD; 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: 1rkx.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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