Receptor
PDB id Resolution Class Description Source Keywords
5VKT 1.83 Å NON-ENZYME: OTHER CINNAMYL ALCOHOL DEHYDROGENASES (SBCAD4) FROM SORGHUM BICOLO MOENCH SORGHUM BICOLOR CINNAMYL ALCOHOL DEHYDROGENASES CAD SINAPYL ALCHOHL DEHYDRSAD SORGHUM DEHYDROGENASE NADP+ NADPH P-COUMARALDEHYDECONIFERALDEHYDE SINAPALDEHYDE OXIDOREDUCTASE
Ref.: THE ENZYME ACTIVITY AND SUBSTRATE SPECIFICITY OF TW CINNAMYL ALCOHOL DEHYDROGENASES IN SORGHUM (SORGHUM BICOLOR), SBCAD2 AND SBCAD4. PLANT PHYSIOL. V. 174 2128 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:402;
A:401;
B:401;
B:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
NAP A:405;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
FMT A:404;
Invalid;
none;
submit data
46.025 C H2 O2 C(=O)...
GOL A:403;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ACT B:403;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
MLT A:406;
Invalid;
none;
submit data
134.087 C4 H6 O5 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5VKT 1.83 Å NON-ENZYME: OTHER CINNAMYL ALCOHOL DEHYDROGENASES (SBCAD4) FROM SORGHUM BICOLO MOENCH SORGHUM BICOLOR CINNAMYL ALCOHOL DEHYDROGENASES CAD SINAPYL ALCHOHL DEHYDRSAD SORGHUM DEHYDROGENASE NADP+ NADPH P-COUMARALDEHYDECONIFERALDEHYDE SINAPALDEHYDE OXIDOREDUCTASE
Ref.: THE ENZYME ACTIVITY AND SUBSTRATE SPECIFICITY OF TW CINNAMYL ALCOHOL DEHYDROGENASES IN SORGHUM (SORGHUM BICOLOR), SBCAD2 AND SBCAD4. PLANT PHYSIOL. V. 174 2128 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5VKT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5FI3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5VKT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1YQD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1YQX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5H81 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5FI3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5VKT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1YQD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 1YQX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 3TWO - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5VKT; Ligand: NAP; Similar sites found: 314
This union binding pocket(no: 1) in the query (biounit: 5vkt.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1X87 NAD 0.001051 0.43791 1.10497
2 3WQQ IB3 0.001058 0.43279 1.10497
3 3WQQ NDP 0.001058 0.43279 1.10497
4 1U8X NAD 0.001136 0.42676 1.10497
5 1PN0 IPH 0.009891 0.40054 1.38122
6 1PN0 FAD 0.009445 0.40054 1.38122
7 4UHF BUA 0.01965 0.4016 1.41844
8 4ZBY URA 0.02984 0.40826 1.54639
9 1OMO NAD 0.00002264 0.5029 1.5528
10 1LTH NAD 0.02467 0.41625 1.5674
11 1EZ4 NAD 0.00003837 0.461 1.57233
12 4KP7 NAP 0.001168 0.43706 1.63934
13 4KP7 1UQ 0.001059 0.43486 1.63934
14 4YCA NDP 0.0005591 0.43895 1.65746
15 1CER NAD 0.0007803 0.43322 1.65746
16 1YS4 NAP 0.00007308 0.4327 1.69492
17 2I3G NAP 0.0003342 0.43353 1.70455
18 4D42 W0I 0.006238 0.40945 1.77305
19 4D42 NAP 0.006238 0.40945 1.77305
20 4E5N NAD 0.0001914 0.44868 1.81818
21 4BGB ADP 0.0291 0.40353 1.84615
22 2F5X ASP 0.03817 0.40501 1.92308
23 4BVA NDP 0.00002018 0.47822 1.9337
24 4BVA T3 0.00003312 0.43631 1.9337
25 2V3B FAD 0.003687 0.40724 1.9337
26 5AOA PPI 0.03083 0.41304 2.0979
27 4FC7 COA 0.005514 0.40548 2.16606
28 4FC7 NAP 0.005514 0.40548 2.16606
29 5GZ6 NDP 0.00001284 0.52816 2.20994
30 5GZ6 7C3 0.00002468 0.506 2.20994
31 4J36 1HR 0.002673 0.4189 2.20994
32 4J36 FAD 0.001512 0.41739 2.20994
33 4JDR FAD 0.002672 0.41694 2.20994
34 3KLJ FAD 0.003605 0.40298 2.20994
35 2CDU FAD 0.004205 0.40392 2.21239
36 5DTK 5F3 0.0268 0.40919 2.26415
37 4MDH NAD 0.0003485 0.43003 2.39521
38 5MDH NAD 0.000304 0.44603 2.4024
39 2HJR APR 0.00003542 0.44809 2.43902
40 1LUA NAP 0.001621 0.43697 2.43902
41 5UAV TFB 0.00006029 0.47519 2.48619
42 5UAV NDP 0.00006029 0.47519 2.48619
43 1X14 NAD 0.001379 0.45179 2.48619
44 4KQW NAP 0.0005305 0.43611 2.48619
45 3GD4 NAD 0.002111 0.42525 2.48619
46 5MBX FAD 0.003311 0.42381 2.48619
47 5MBX SP5 0.003311 0.42381 2.48619
48 2BKX F6R 0.00947 0.42031 2.48619
49 2B9W FAD 0.005576 0.4153 2.48619
50 4X9M FAD 0.003042 0.41369 2.48619
51 3ZNN FAD 0.006479 0.41335 2.48619
52 3ZNN 4WL 0.006479 0.41335 2.48619
53 5MPT SAH 0.009256 0.41027 2.48619
54 5JCA FAD 0.007323 0.40059 2.48619
55 5JCA NDP 0.01568 0.40014 2.48619
56 1UP7 NAD 0.001629 0.4 2.48619
57 3AB1 FAD 0.006473 0.4008 2.5
58 2DM6 IMN 0.000008429 0.51265 2.7027
59 2DM6 NAP 0.00001008 0.50819 2.7027
60 2GLX NDP 0.0002666 0.42397 2.71084
61 2VYN NAD 0.0006567 0.42994 2.71903
62 1M0S CIT 0.03223 0.40499 2.73973
63 1Z82 NDP 0.00009597 0.46552 2.76243
64 1OBB NAD 0.0007211 0.44123 2.76243
65 5CAE COA 0.0008645 0.438 2.76243
66 5FJN FAD 0.001343 0.42975 2.76243
67 5FJN BE2 0.001595 0.42975 2.76243
68 3CGD FAD 0.005352 0.42812 2.76243
69 3CGD COA 0.005352 0.42812 2.76243
70 3CGD NAD 0.005352 0.42812 2.76243
71 1RYD NDP 0.006399 0.42588 2.76243
72 3CIF NAD 0.0007666 0.42142 2.76243
73 4XDZ NDP 0.0004096 0.421 2.76243
74 3CIF G3H 0.002403 0.41216 2.76243
75 3AYI HCI 0.01103 0.40168 2.76243
76 3AYI FAD 0.01058 0.40168 2.76243
77 2VT3 ATP 0.00001567 0.56127 2.7907
78 5LD5 NAD 0.001766 0.42849 2.7933
79 2ZB3 NDP 0.000002296 0.52392 2.83286
80 1X7D ORN 0.00000975 0.50728 2.85714
81 1X7D NAD 0.000005945 0.49997 2.85714
82 3NGL NAP 0.0004325 0.46187 2.89855
83 3V1Y NAD 0.0008171 0.43243 2.96736
84 5E4R NAP 0.0007063 0.42253 3.03867
85 2B4R AES 0.001047 0.41934 3.03867
86 1F8G NAD 0.003538 0.41898 3.03867
87 2B4R NAD 0.001315 0.41702 3.03867
88 3H8V ATP 0.0001792 0.40755 3.03867
89 2EV9 SKM 0.0001086 0.44584 3.04183
90 2EV9 NAP 0.0001086 0.44584 3.04183
91 2QZZ NAP 0.005401 0.4008 3.14465
92 2QZZ EMF 0.005749 0.4008 3.14465
93 5KKA 6V0 0.000215 0.44827 3.20513
94 1GUZ NAD 0.00001138 0.49732 3.22581
95 1UXG NAD 0.003663 0.43735 3.23625
96 1UXG FUM 0.003663 0.43735 3.23625
97 1P77 ATR 0.000002472 0.62745 3.30882
98 4RDH AMP 0.0001232 0.50553 3.31492
99 4D79 ATP 0.0001337 0.49346 3.31492
100 4XDY NAI 0.00007386 0.47376 3.31492
101 2NAD NAD 0.000976 0.42723 3.31492
102 5BUK FAD 0.002805 0.41902 3.31492
103 1U1I NAD 0.001528 0.4185 3.31492
104 5G3U FDA 0.003734 0.40812 3.31492
105 5G3U ITW 0.006144 0.40545 3.31492
106 4RDI ATP 0.0002077 0.4017 3.31492
107 4MUS LY0 0.02232 0.40942 3.31754
108 1PZG A3D 0.00004664 0.48091 3.32326
109 4DPL NAP 0.0001023 0.45736 3.34262
110 4Q9N NAI 0.002948 0.40376 3.3557
111 2DC1 NAD 0.001322 0.42118 3.38983
112 4B7X NAP 0.000005099 0.51173 3.57143
113 5M67 NAD 0.00007233 0.48661 3.59116
114 5M67 ADE 0.00008145 0.48454 3.59116
115 5M67 3D1 0.00008566 0.48366 3.59116
116 2O4C NAD 0.0004216 0.43571 3.59116
117 1LJ8 NAD 0.001501 0.43486 3.59116
118 3S5W NAP 0.005427 0.42806 3.59116
119 3A06 FOM 0.001251 0.42429 3.59116
120 3A06 NDP 0.001079 0.42429 3.59116
121 1M2W NAD 0.002377 0.42309 3.59116
122 2OOR NAD 0.003029 0.42186 3.59116
123 1L7E NAI 0.006615 0.40169 3.59116
124 4MIG G3F 0.009981 0.40038 3.59116
125 2E5V FAD 0.008726 0.40024 3.59116
126 3CMC NAD 0.00844 0.41391 3.59281
127 1KYQ NAD 0.000465 0.47357 3.64964
128 3D3W NAP 0.002763 0.40739 3.68852
129 1PR9 NAP 0.00323 0.4048 3.68852
130 1JAY NAP 0.0001059 0.42983 3.77358
131 3ABI NAD 0.000007673 0.49968 3.8674
132 3NJ4 AFX 0.0005347 0.48666 3.8674
133 3NJ4 NAD 0.0005347 0.48666 3.8674
134 1ZH8 NAP 0.00009543 0.46561 3.8674
135 1MUU NAD 0.0003165 0.45226 3.8674
136 1J0X NAD 0.001687 0.42683 3.8674
137 2VVM FAD 0.00203 0.4206 3.8674
138 1ZMD FAD 0.003037 0.41671 3.8674
139 2ZB4 NAP 0.000003823 0.47424 3.92157
140 2ZB4 5OP 0.000004185 0.4685 3.92157
141 2F1K NAP 0.0001188 0.4431 3.94265
142 1O6Z NAD 0.00001495 0.46531 3.9604
143 2GZ3 NAP 0.0001481 0.47408 4.09836
144 1MV8 NAD 0.00007011 0.47466 4.14365
145 4PLG NAI 0.007286 0.42346 4.14365
146 4PLG OXM 0.007286 0.42346 4.14365
147 4EDF UPG 0.002624 0.42293 4.14365
148 1VI2 NAD 0.0001601 0.42152 4.14365
149 2VHW NAI 0.0002993 0.41365 4.14365
150 2PZI AXX 0.01919 0.409 4.14365
151 4R5M NAP 0.002094 0.4051 4.14365
152 4R5M 4NO 0.002846 0.40433 4.14365
153 2WPF FAD 0.02881 0.40265 4.14365
154 2WPF WPF 0.03391 0.40074 4.14365
155 1J49 NAD 0.0002513 0.4459 4.2042
156 2CUL FAD 0.002153 0.414 4.31034
157 2A92 NAI 0.0001065 0.45987 4.36137
158 2DT5 NAD 0.000008361 0.50245 4.41989
159 2PV7 NAD 0.001739 0.41654 4.41989
160 4XYB NDP 0.0005137 0.41374 4.41989
161 1VPD TLA 0.02769 0.41176 4.41989
162 1LDM NAD 0.03116 0.41402 4.55927
163 4OOE NDP 0.0002457 0.4531 4.69613
164 4XB2 HSE 0.0007761 0.42709 4.69613
165 4XB2 NDP 0.0002007 0.42614 4.69613
166 4HSU FAD 0.002062 0.42435 4.69613
167 4GUT FAD 0.002394 0.42363 4.69613
168 4MUQ LY0 0.02414 0.40769 4.70588
169 4II2 ATP 0.00481 0.41643 4.81928
170 1WOG 16D 0.04021 0.40177 4.91803
171 1YJQ NAP 0.000234 0.44832 4.9505
172 1V8B NAD 0.00001452 0.49909 4.97238
173 5N2I NAP 0.00007349 0.42997 4.97238
174 3B6Z CO7 0.0004291 0.42596 4.97238
175 3HAD NAD 0.003567 0.41843 4.97238
176 1PS9 FAD 0.005113 0.40582 4.97238
177 1PS9 NAP 0.001756 0.4014 4.97238
178 5BSH PRO 0.00238 0.4086 5.05415
179 5T9E NAP 0.0001645 0.43974 5.16605
180 1NPD NAD 0.0003072 0.45644 5.20833
181 2YYY NAP 0.002365 0.40863 5.24781
182 3OND ADN 0.00003274 0.49937 5.24862
183 3OND NAD 0.00003274 0.49937 5.24862
184 4ZGS NAD 0.0003821 0.41929 5.24862
185 2IID PHE 0.006793 0.41104 5.24862
186 2IID FAD 0.006793 0.41104 5.24862
187 1P31 EPU 0.0122 0.40483 5.24862
188 4HA6 FAD 0.006973 0.40236 5.24862
189 4CJX NAP 0.0004713 0.44529 5.32915
190 1SC6 NAD 0.0002253 0.4475 5.44554
191 1QMG APX 0.001542 0.43095 5.52486
192 1DLJ NAI 0.03392 0.40454 5.52486
193 5JE8 NAD 0.0004734 0.44521 5.62914
194 3KB6 NAD 0.0003378 0.44425 5.68862
195 1NVM NAD 0.000128 0.45529 5.7971
196 1F06 NDP 0.00001584 0.49455 5.80111
197 1F06 2NP 0.00001584 0.49455 5.80111
198 5U5G NAP 0.0001044 0.45369 5.80111
199 2JB2 PHE 0.006592 0.40049 5.80111
200 2JB2 FAD 0.006219 0.40049 5.80111
201 1EBF NAD 0.0004088 0.41722 5.86592
202 4K28 NAD 0.0001492 0.46541 6.07735
203 4D3F NAP 0.00002085 0.45172 6.07735
204 1C1X NAD 0.0002088 0.43487 6.07735
205 1BXG NAD 0.0004011 0.42525 6.07735
206 1BW9 NAD 0.0001932 0.42041 6.07735
207 3NKS FAD 0.004833 0.40268 6.07735
208 2CVZ NDP 0.0002445 0.45318 6.22837
209 2V57 PRL 0.03838 0.40457 6.31579
210 2HK9 ATR 0.00000006619 0.68836 6.35359
211 2HK9 NAP 0.000002295 0.53346 6.35359
212 3GGO NAI 0.0009714 0.43425 6.35359
213 3GGO ENO 0.0009714 0.43425 6.35359
214 1O8B ABF 0.03264 0.40471 6.35359
215 2AHR NAP 0.002454 0.40158 6.35359
216 1VM6 NAD 0.001289 0.42768 6.57895
217 5BWD FUM 0.01562 0.42835 6.66667
218 1LSS NAD 0.0001269 0.48499 6.90608
219 2GCG NDP 0.00009333 0.45528 6.90608
220 1UWK URO 0.001682 0.42883 6.90608
221 1UWK NAD 0.001682 0.42883 6.90608
222 2Z3Y F2N 0.003107 0.41631 6.90608
223 1Y8Q ATP 0.002935 0.4162 6.90608
224 5U8U FAD 0.007637 0.4151 6.90608
225 1SOW NAD 0.008575 0.41484 6.90608
226 2HQM FAD 0.004565 0.40873 6.90608
227 1WP4 NDP 0.00007227 0.45575 6.92042
228 2Q0L NAP 0.003473 0.43721 7.3955
229 1E5Q NDP 0.0001244 0.45758 7.45856
230 1GQ2 NAP 0.0004034 0.43192 7.45856
231 1YQZ FAD 0.01335 0.40175 7.45856
232 1COY FAD 0.006777 0.40098 7.45856
233 3QWB NDP 0.000001968 0.51567 7.48503
234 4JK3 NAD 0.00001537 0.50076 7.72201
235 4J4H 1J1 0.0001011 0.47864 7.72201
236 4J4H NAI 0.0001011 0.47864 7.72201
237 1WDK NAD 0.0001316 0.47563 7.73481
238 2G5C NAD 0.001893 0.40966 7.82918
239 2CVQ NDP 0.0004027 0.43807 7.95107
240 1DJN ADP 0.001124 0.4367 8.01105
241 5AYV KPL 0.003485 0.40593 8.01105
242 5F7U GLC GLC 0.007271 0.44298 8.56354
243 2R4J 13P 0.008166 0.40627 8.56354
244 2R4J FAD 0.008166 0.40627 8.56354
245 1V59 NAD 0.001841 0.45932 8.83978
246 2PD4 DCN 0.004878 0.4003 9.09091
247 4L8V NAP 0.002579 0.4046 9.39227
248 3B20 NAD 0.00138 0.42966 9.43953
249 3ICT ADP 0.001303 0.46671 9.66851
250 1EYQ NAR 0.02812 0.4081 9.66851
251 3FWN ATR 0.0005162 0.41312 9.94475
252 1CF2 NAP 0.0007962 0.41316 10.3858
253 1DIG L37 0.0008008 0.42793 10.4972
254 1DIG NAP 0.0007819 0.42697 10.4972
255 1HYH NAD 0.00001579 0.48162 10.6796
256 1T26 GBD 0.03296 0.42473 10.8696
257 1T26 NAI 0.03296 0.42473 10.8696
258 2F5Z FAD 0.002147 0.42268 10.9375
259 4YSX FAD 0.002405 0.41771 11.0497
260 1LDN NAD 0.0001351 0.4544 11.0759
261 4XZ3 COA 0.002009 0.42614 11.326
262 5VN0 NAI 0.003573 0.40703 11.326
263 4WAS NAP 0.0001106 0.46501 11.6022
264 5T9F TYR 0.0003235 0.44827 11.6022
265 5T9F NAP 0.0004854 0.44019 11.6022
266 4WAS COO 0.0006031 0.43654 11.6022
267 1O94 ADP 0.001063 0.40059 11.7424
268 1JNR FAD 0.01878 0.4032 12
269 2DBZ NAP 0.00005874 0.47006 12.2754
270 2D2I NAP 0.0006329 0.44712 12.4309
271 3WGT QSC 0.003821 0.41722 12.4309
272 3WGT FAD 0.003638 0.41722 12.4309
273 2J8Z NAP 0.006085 0.41726 12.9834
274 3VPH OXM 0.0001923 0.45439 13.2258
275 3VPH NAD 0.0002725 0.4458 13.2258
276 1NVT NAP 0.000009456 0.51846 13.2404
277 5SXS NIZ 0.04341 0.40832 13.5359
278 5L95 AMP 0.0001636 0.48474 13.75
279 1KOL NAD 0.01058 0.41545 15.7459
280 1FWV SGA MAG FUC 0.01857 0.43096 17.1642
281 2BOS GLA GAL GLC NBU 0.03044 0.40585 17.6471
282 2BOS GLA GAL GLC 0.03051 0.40583 17.6471
283 1NYT NAP 0.000005265 0.52394 19.0608
284 1YB5 NAP 0.00002762 0.45875 19.6581
285 1KEV NDP 0.000007323 0.50739 20.442
286 4A0S NAP 0.0000007187 0.5316 21.2707
287 2JHF NAD 0.00000009347 0.66165 22.0994
288 1YKF NAP 0.0000126 0.49157 22.0994
289 1U3U BNF 0.000000001806 0.54589 22.3757
290 1U3U NAD 0.000000001806 0.54589 22.3757
291 1PL6 572 0.00001134 0.49681 22.9282
292 1PL6 NAD 0.000002421 0.47593 22.9282
293 1N9G NAP 0.00003788 0.48941 23.7569
294 2FZW NAD 0.0000005307 0.56568 25.4144
295 1E3I CXF 0.00000001622 0.55373 26.2431
296 1P0F NAP 0.0000000005146 0.66177 27.0718
297 4RVU NDP 0.000003057 0.49239 27.0718
298 3GFB NAD 0.00002204 0.49038 27.0718
299 4JBI NDP 0.00001646 0.4725 27.9006
300 2DFV NAD 0.00001101 0.4852 28.453
301 1D1T NAD 0.0000000007637 0.63021 29.558
302 1CDO NAD 0.0000000003079 0.68677 30.1105
303 2CDC XYP 0.0000298 0.51563 30.1105
304 2CDC XYS 0.00003988 0.51035 30.1105
305 2CDC NAP 0.00003988 0.51035 30.1105
306 4RQU NAD 0.00000001459 0.59675 34.8066
307 1F8F NAD 0.02416 0.41403 35.3591
308 1R37 NAD 0.000005093 0.55376 38.3285
309 3JV7 NAD 0.0000000004025 0.66071 42.029
310 3WLE NAD 0.0000000001399 0.61984 42.8153
311 1H2B NAJ 0.00002523 0.52278 45.4039
312 4GKV NAD 0.000000000002109 0.69762 47.0238
313 1RJW ETF 0.00004089 0.58734 48.9676
314 1LLU NAD 0.00000000000194 0.75943 49.4152
Pocket No.: 2; Query (leader) PDB : 5VKT; Ligand: NAP; 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: 5vkt.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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