Receptor
PDB id Resolution Class Description Source Keywords
5X20 2.4 Å EC: 1.1.1.169 THE TERNARY STRUCTURE OF D-MANDELATE DEHYDROGENASE WITH NADH ANILINO(OXO)ACETATE ENTEROCOCCUS FAECIUM DO ROSSMANN FOLD DEHYDROGENASE NADH BINDING OXIDOREDUCTASE
Ref.: THE TERNARY COMPLEX STRUCTURE OF D-MANDELATE DEHYDR WITH NADH AND ANILINO(OXO)ACETATE. BIOCHEM. BIOPHYS. RES. 2017 COMMUN.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:406;
A:408;
B:407;
C:408;
C:407;
A:410;
D:405;
D:404;
B:408;
C:413;
C:412;
B:409;
C:411;
C:409;
E:407;
A:409;
C:410;
E:406;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GOL C:404;
E:405;
C:405;
B:404;
C:403;
A:411;
E:403;
A:406;
A:404;
B:405;
B:403;
F:401;
E:404;
D:403;
A:405;
C:406;
A:407;
A:403;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
AOT B:402;
A:402;
E:402;
D:402;
C:402;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
165.146 C8 H7 N O3 c1ccc...
NAD B:401;
A:401;
C:401;
D:401;
E:401;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
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
5X20 2.4 Å EC: 1.1.1.169 THE TERNARY STRUCTURE OF D-MANDELATE DEHYDROGENASE WITH NADH ANILINO(OXO)ACETATE ENTEROCOCCUS FAECIUM DO ROSSMANN FOLD DEHYDROGENASE NADH BINDING OXIDOREDUCTASE
Ref.: THE TERNARY COMPLEX STRUCTURE OF D-MANDELATE DEHYDR WITH NADH AND ANILINO(OXO)ACETATE. BIOCHEM. BIOPHYS. RES. 2017 COMMUN.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5X20 - AOT C8 H7 N O3 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5X20 - AOT C8 H7 N O3 c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5X20 - AOT C8 H7 N O3 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AOT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 AOT 1 1
2 LO1 0.475 0.8125
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 : 5X20; Ligand: AOT; Similar sites found: 9
This union binding pocket(no: 1) in the query (biounit: 5x20.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2A42 ATP 0.02106 0.40847 2.30769
2 2A40 ATP 0.02415 0.40523 2.30769
3 5SYM 71Q 0.01585 0.4106 3.04348
4 5AZC PGT 0.04553 0.43284 3.66667
5 1YAG ATP 0.02899 0.40582 4
6 1ZOA 140 0.01671 0.43294 5.76923
7 4DE9 VTP 0.02427 0.41629 5.76923
8 1MDC PLM 0.02533 0.40617 9.84848
9 3FMI KAP 0.02664 0.40369 17.1315
Pocket No.: 2; Query (leader) PDB : 5X20; Ligand: NAD; Similar sites found: 311
This union binding pocket(no: 2) in the query (biounit: 5x20.bio3) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KLJ FAD 0.0001655 0.41708 1.28205
2 1OMO NAD 0.0001881 0.45839 1.60256
3 5UAV NDP 0.000009095 0.44738 1.60256
4 5UAV TFB 0.000009095 0.44738 1.60256
5 5AHO TLA 0.006106 0.43249 1.60256
6 1P31 EPU 0.004084 0.42064 1.60256
7 2YYY NAP 0.0006137 0.41804 1.60256
8 4GKV NAD 0.000227 0.41217 1.60256
9 5KVS NAP 0.00424 0.40392 1.60256
10 2C29 NAP 0.001872 0.40181 1.60256
11 1HYH NAD 0.00001214 0.468 1.61812
12 4KQW NAP 0.0004041 0.45371 1.92308
13 5FJN BE2 0.002198 0.43529 1.92308
14 5FJN FAD 0.001877 0.43529 1.92308
15 4V15 PLP 0.02266 0.40028 1.92308
16 3FZG SAM 0.008298 0.41387 2
17 5U5G NAP 0.000001291 0.51689 2.0339
18 2WHL MAN BMA BMA 0.02875 0.40484 2.04082
19 4XB2 HSE 0.00009722 0.47609 2.24359
20 4XB2 NDP 0.000031 0.4746 2.24359
21 4L8V NAP 0.000121 0.46909 2.24359
22 4UOZ GLA 0.004818 0.44228 2.24359
23 1P0F NAP 0.000798 0.43892 2.24359
24 4UCF GLA 0.005198 0.43588 2.24359
25 1GQ2 NAP 0.0002731 0.43161 2.24359
26 3S5W NAP 0.006312 0.42325 2.24359
27 1D1T NAD 0.0002942 0.41674 2.24359
28 1OFL NGK GCD 0.02674 0.41369 2.24359
29 3ITJ CIT 0.0226 0.4099 2.24359
30 2GCG NDP 0.001777 0.4022 2.24359
31 1E7S NAP 0.02778 0.40138 2.24359
32 3VYW SAM 0.00653 0.40509 2.27273
33 1NFQ NAI 0.003041 0.41528 2.30769
34 1O6Z NAD 0.0004085 0.44484 2.31023
35 2CVZ NDP 0.00001265 0.49347 2.42215
36 3ICT ADP 0.00005808 0.52605 2.5641
37 2DFV NAD 0.00004804 0.48175 2.5641
38 1X87 NAD 0.0001145 0.47119 2.5641
39 1PL6 572 0.0004077 0.45078 2.5641
40 4CNK FAD 0.001024 0.44201 2.5641
41 1PL6 NAD 0.0001923 0.43594 2.5641
42 4MIG G3F 0.002658 0.43446 2.5641
43 3C1O NAP 0.0004893 0.43391 2.5641
44 1GET FAD 0.005092 0.43324 2.5641
45 1GET NAP 0.005432 0.43324 2.5641
46 3UCL NAP 0.007516 0.42693 2.5641
47 2A92 NAI 0.0001687 0.42545 2.5641
48 3C7A NAD 0.007014 0.42512 2.5641
49 3UCL CYH 0.009515 0.42051 2.5641
50 3UCL FAD 0.009515 0.42051 2.5641
51 3OA2 NAD 0.0005362 0.42016 2.5641
52 3ICS ADP 0.00005689 0.41608 2.5641
53 4UP3 FAD 0.006034 0.41194 2.5641
54 3ICS FAD 0.005839 0.41051 2.5641
55 4DMG SAM 0.01428 0.41007 2.5641
56 1AE1 NAP 0.006251 0.40373 2.5641
57 2JK0 ASP 0.03672 0.4014 2.5641
58 5XCZ GLC BGC 0.03175 0.40032 2.5641
59 4XFR CIT 0.03498 0.40017 2.5641
60 2PV7 NAD 0.000002165 0.51478 2.68456
61 2AOT SAH 0.01125 0.40771 2.73973
62 5ITV NAI 0.001028 0.40274 2.7451
63 3WV8 ATP 0.00001086 0.5291 2.75229
64 1WP4 NDP 0.000003061 0.50957 2.76817
65 1LJ8 NAD 0.0001299 0.47319 2.83976
66 1M2W NAD 0.0002992 0.45409 2.83976
67 1V8B NAD 0.00006142 0.49014 2.88462
68 3GDN FAD 0.004495 0.41927 2.88462
69 3GDN HBX 0.006534 0.41927 2.88462
70 2PT9 2MH 0.003509 0.4152 2.88462
71 2JJQ SAH 0.009632 0.41453 2.88462
72 5MQ6 NDP 0.003285 0.41141 2.88462
73 1JWY ADP 0.02002 0.40291 2.88462
74 4Z3E GAL NGA GLA BGC GAL 0.01933 0.41466 3.0303
75 5N53 8NB 0.03724 0.40207 3.07692
76 3CIF NAD 0.0001198 0.46761 3.20513
77 2GZ3 NAP 0.0009345 0.45397 3.20513
78 5JCM FAD 0.002556 0.44522 3.20513
79 5JCM ISD 0.002648 0.44522 3.20513
80 5JCM NAD 0.002648 0.44522 3.20513
81 3CIF G3H 0.0008211 0.44237 3.20513
82 2VVM FAD 0.002435 0.42848 3.20513
83 3A06 NDP 0.0003502 0.40575 3.20513
84 5Y3N 8MF 0.02615 0.40083 3.20513
85 3WXL ADP 0.04524 0.40076 3.20513
86 2Q0L NAP 0.006372 0.4192 3.21543
87 5BSH PRO 0.0002309 0.46082 3.2491
88 2DT5 NAD 0.00000251 0.50387 3.31754
89 1NYT NAP 0.0006943 0.43217 3.32103
90 1JI0 ATP 0.03768 0.40036 3.33333
91 1UI0 URA 0.03065 0.40007 3.41463
92 3GGO ENO 0.000001935 0.55986 3.52564
93 3GGO NAI 0.000001935 0.55986 3.52564
94 1J49 NAD 0.000004984 0.49426 3.52564
95 1EBF NAD 0.00007031 0.46658 3.52564
96 1SC6 NAD 0.0002277 0.46106 3.52564
97 5DN9 NAD 0.00002603 0.44418 3.52564
98 2I3G NAP 0.0001929 0.42778 3.52564
99 1PZG A3D 0.00007789 0.42053 3.52564
100 1Y8Q ATP 0.002698 0.41184 3.52564
101 1OHE ACE ALA SEP PRO 0.03639 0.40117 3.52564
102 2G5C NAD 0.00001433 0.47269 3.55872
103 1O5I NAD 0.008356 0.40359 3.61446
104 1TZD ADP 0.007392 0.44131 3.63636
105 4O0L NDP 0.001202 0.40089 3.63636
106 4XUC 43G 0.005737 0.40643 3.66972
107 4XUC SAM 0.005737 0.40643 3.66972
108 4K28 NAD 0.00006863 0.47187 3.71747
109 2VT3 ATP 0.00002725 0.54198 3.72093
110 1XSE NDP 0.00543 0.41386 3.72881
111 1QXA GLY GLY GLY 0.03736 0.41146 3.82979
112 2DBZ NAP 0.00001907 0.47296 3.84615
113 5CAE COA 0.0001483 0.46255 3.84615
114 1PS9 FAD 0.001192 0.44257 3.84615
115 5GZ6 NDP 0.001248 0.43577 3.84615
116 2E5V FAD 0.004291 0.42107 3.84615
117 5GZ6 7C3 0.002017 0.4201 3.84615
118 1PS9 NAP 0.00244 0.41215 3.84615
119 5CAE SIN 0.0002622 0.4115 3.84615
120 4BVA NDP 0.001053 0.40425 3.84615
121 4J4H 1J1 0.00008487 0.49657 3.861
122 4J4H NAI 0.00008487 0.49657 3.861
123 4JK3 NAD 0.00002066 0.48507 3.861
124 5T9E NAP 0.00000206 0.53421 4.05904
125 1X7D ORN 0.000104 0.48204 4.16667
126 1X7D NAD 0.0000953 0.4716 4.16667
127 2D2I NAP 0.0004297 0.44765 4.16667
128 3B20 NAD 0.0003863 0.44581 4.16667
129 4BV6 FAD 0.001538 0.43791 4.16667
130 1QMG APX 0.0008352 0.43581 4.16667
131 2VHW NAI 0.00007898 0.41721 4.16667
132 1DSS NAD 0.008626 0.41631 4.16667
133 3CH6 NAP 0.004129 0.43463 4.1958
134 3CH6 311 0.004129 0.43463 4.1958
135 5JE8 NAD 0.0000006249 0.55248 4.30464
136 4DD8 BAT 0.03658 0.40104 4.32692
137 2QZZ EMF 0.0007408 0.44787 4.40252
138 2QZZ NAP 0.0007027 0.44763 4.40252
139 5T9F NAP 0.000001639 0.47041 4.42804
140 5T9F TYR 0.00000147 0.4665 4.42804
141 2VOH CIT 0.003285 0.44954 4.4586
142 4ZGS NAD 0.00001232 0.4956 4.48718
143 2HJR APR 0.00003713 0.49124 4.48718
144 1WDK NAD 0.0002013 0.46115 4.48718
145 4XDY NAI 0.0001082 0.45759 4.48718
146 4OOE NDP 0.0001554 0.45187 4.48718
147 3GD4 NAD 0.0003431 0.45165 4.48718
148 4J36 1HR 0.0008309 0.45127 4.48718
149 4J36 FAD 0.000446 0.45059 4.48718
150 3CGD COA 0.005107 0.43912 4.48718
151 3CGD FAD 0.005107 0.43912 4.48718
152 3CGD NAD 0.005107 0.43912 4.48718
153 4TM3 FAD 0.01116 0.41923 4.48718
154 2Y6Q FAD 0.0002768 0.41493 4.48718
155 2YY7 NAD 0.002976 0.41435 4.48718
156 1CDO NAD 0.002732 0.40447 4.48718
157 1E5Q NDP 0.001964 0.4009 4.48718
158 5K6A NAP 0.003559 0.40988 4.51389
159 5JDI NAP 0.004508 0.40438 4.51389
160 3KIF GDL 0.01679 0.41457 4.71698
161 2HK9 ATR 0.00002336 0.5524 4.72727
162 2HK9 NAP 0.0001727 0.45023 4.72727
163 2O4C NAD 0.00002028 0.50208 4.80769
164 1DJN ADP 0.000334 0.45213 4.80769
165 2B4R NAD 0.00006794 0.44325 4.80769
166 1O94 ADP 0.0005182 0.44068 4.80769
167 4II2 ATP 0.001423 0.43333 4.80769
168 2B4R AES 0.0002061 0.43139 4.80769
169 3WLE NAD 0.0001235 0.41223 4.80769
170 2WD7 NAP 0.004728 0.40355 4.85075
171 2WSB NAD 0.002114 0.43106 5.11811
172 3CMC NAD 0.0006268 0.47374 5.12821
173 3GFB NAD 0.0001121 0.45032 5.12821
174 1V59 NAD 0.006277 0.42746 5.12821
175 5THQ NDP 0.001934 0.42057 5.14706
176 4D3F NAP 0.0000002403 0.58737 5.16129
177 4RDH AMP 0.001181 0.45315 5.20833
178 4RDI ATP 0.00185 0.43591 5.20833
179 5D4V SAH 0.005279 0.40593 5.22388
180 4NTD FAD 0.01157 0.42501 5.29412
181 2F1K NAP 0.000002967 0.5179 5.37634
182 4D79 ATP 0.0004642 0.46257 5.43478
183 1J0X NAD 0.0001118 0.48813 5.44872
184 5BUK FAD 0.0005874 0.45869 5.44872
185 3QV1 NAD 0.0001481 0.45867 5.44872
186 1QO8 FAD 0.001462 0.43987 5.44872
187 1UXG FUM 0.01041 0.42712 5.50162
188 1UXG NAD 0.01041 0.42712 5.50162
189 1ZN7 HSX 0.008876 0.4243 5.55556
190 1ZN7 ADE 0.008876 0.4243 5.55556
191 1EZ4 NAD 0.00008654 0.4617 5.76923
192 1CER NAD 0.0001157 0.45643 5.76923
193 1ZH8 NAP 0.0003701 0.43291 5.76923
194 1YS4 NAP 0.0009585 0.41521 5.76923
195 5EB4 FAD 0.005877 0.41242 5.76923
196 3H8V ATP 0.0001298 0.42951 5.82192
197 3H4V DVP 0.009197 0.40611 5.90278
198 3H4V NAP 0.0108 0.40223 5.90278
199 1FWV SGA MAG FUC 0.002405 0.46751 5.97015
200 1VI2 NAD 0.0009926 0.43629 6
201 1BW9 NAD 0.00002281 0.50476 6.08974
202 1BXG NAD 0.00001414 0.50099 6.08974
203 1C1X NAD 0.00001733 0.48867 6.08974
204 3KB6 NAD 0.00003048 0.47168 6.08974
205 3VSE SAH 0.01156 0.41456 6.08974
206 3L4S NAD 0.0003146 0.41437 6.08974
207 3ORF NAD 0.00103 0.40983 6.08974
208 3L4S 3PG 0.000341 0.40877 6.08974
209 4GLL NAD 0.004497 0.40836 6.08974
210 1YQT ADP 0.03559 0.40276 6.08974
211 1GUZ NAD 0.0001257 0.44552 6.12903
212 3VPH NAD 0.00003036 0.44524 6.12903
213 3VPH OXM 0.00004018 0.43252 6.12903
214 2B9W FAD 0.003482 0.43426 6.13208
215 1PR9 NAP 0.0006597 0.44365 6.14754
216 4CQM NAP 0.001558 0.40041 6.14754
217 1NPD NAD 0.001006 0.42909 6.25
218 2DBX GLU 0.03355 0.40404 6.31579
219 5KKA 6V0 0.0001162 0.42996 6.41026
220 1LLU NAD 0.0003715 0.40481 6.41026
221 2YVJ NAI 0.0006653 0.45563 6.42202
222 5N2I NAP 0.000002951 0.50314 6.46552
223 1JNR FAD 0.00317 0.44678 6.66667
224 2AWN ADP 0.04143 0.40926 6.73077
225 1VM6 NAD 0.0009409 0.42695 7.01754
226 3NJ4 NAD 0.0002437 0.51553 7.05128
227 3NJ4 AFX 0.0002437 0.51553 7.05128
228 1MV8 NAD 0.000003985 0.51295 7.05128
229 3ABI NAD 0.000004146 0.491 7.05128
230 1YKF NAP 0.0006333 0.41329 7.05128
231 4FN4 NAD 0.001337 0.40254 7.08661
232 1RM8 BAT 0.03477 0.40221 7.10059
233 1CF2 NAP 0.00004264 0.48196 7.37179
234 3V1Y NAD 0.0001048 0.45824 7.37179
235 5L4S NAP 0.001007 0.44115 7.37179
236 5L4S 6KX 0.001007 0.44115 7.37179
237 2PZM NAD 0.007338 0.41119 7.37179
238 2PZM UDP 0.007338 0.41119 7.37179
239 1WPQ NAD 0.000001525 0.52492 7.69231
240 4E5N NAD 0.000007608 0.47417 7.69231
241 5LD5 NAD 0.0003912 0.44932 7.69231
242 1ZMD NAI 0.0004619 0.43916 7.69231
243 3Q9T FAY 0.01574 0.41887 7.69231
244 1I36 NAP 0.00001568 0.51156 7.95455
245 2NAD NAD 0.00004358 0.49485 8.01282
246 2FZW NAD 0.0005104 0.46023 8.01282
247 1KEV NDP 0.0003587 0.40535 8.01282
248 1JAY NAP 0.00004106 0.49409 8.01887
249 1FEC FAD 0.0009143 0.45249 8.33333
250 2GVC FAD 0.0004692 0.4497 8.33333
251 2WPF FAD 0.005019 0.44609 8.33333
252 2WPF WPF 0.005794 0.44457 8.33333
253 1VQW FAD 0.0004328 0.4047 8.33333
254 1NVT NAP 0.0005594 0.43934 8.36237
255 1KYQ NAD 0.00009885 0.49756 8.39416
256 3OID NDP 0.006333 0.4035 8.52713
257 2YOA SEP 0.000719 0.41889 8.55263
258 1E6E FAD 0.00296 0.42059 8.59375
259 1MUU NAD 0.00000699 0.51106 8.65385
260 3QVP FAD 0.001016 0.44757 8.65385
261 5FI3 NAP 0.001173 0.40446 8.65385
262 1ELI PYC 0.006174 0.40949 8.74036
263 5L95 AMP 0.0001116 0.48513 8.75
264 1P77 ATR 0.000004605 0.60506 8.82353
265 4XYB NDP 0.0001962 0.4124 8.95141
266 4TXI FAD 0.0006624 0.40312 8.97436
267 3NTD FAD 0.009512 0.40165 8.97436
268 2RGJ FAD 0.0005941 0.40046 8.97436
269 2XVE FAD 0.001156 0.45829 9.29487
270 5O4J SAH 0.002366 0.42223 9.48905
271 5O4J 9KH 0.002366 0.42223 9.48905
272 5O4J PJL 0.002388 0.42083 9.48905
273 3L9W AMP 0.00003989 0.44753 9.61539
274 3L9W GSH 0.0001106 0.44434 9.61539
275 1PJS NAD 0.00006457 0.43453 9.61539
276 2FR1 NDP 0.0009415 0.40017 9.61539
277 2GUD BMA 0.02573 0.40534 9.83607
278 1NVM NAD 0.0001243 0.43491 9.9359
279 5VN0 NAI 0.0004324 0.43453 9.9359
280 1F8G NAD 0.004232 0.40995 9.9359
281 3QWI NAP 0.0005971 0.40583 10.3704
282 5UAO FAD 0.001788 0.43194 10.5769
283 2GLX NDP 0.001084 0.42779 10.5769
284 3FWN ATR 0.0001589 0.41556 10.5769
285 2OOR NAD 0.004764 0.4078 10.5769
286 1L7E NAI 0.005208 0.40319 10.5769
287 1X14 NAD 0.001836 0.44006 10.9726
288 2PK3 A2R 0.008979 0.40222 11.2179
289 1F06 2NP 0.0004131 0.45332 11.5385
290 1F06 NDP 0.0004131 0.45332 11.5385
291 4J1Q NDP 0.003328 0.40826 11.859
292 2EV9 NAP 0.0001398 0.4274 12.1673
293 2EV9 SKM 0.0001398 0.4274 12.1673
294 2VYN NAD 0.000089 0.44942 12.5
295 2F5Z FAD 0.003782 0.4234 12.5
296 1LDN NAD 0.00002149 0.50106 12.8205
297 1LSS NAD 0.0003636 0.45858 12.8571
298 4IN9 SER TRP PHE PRO 0.02741 0.40894 13.253
299 4XDZ NDP 0.0001354 0.46021 14.4231
300 5E4R NAP 0.0001369 0.44305 14.4231
301 2AHR NAP 0.0001953 0.42669 14.6718
302 3KOX Z98 0.01416 0.40306 15.7025
303 5H81 NAP 0.0004138 0.45217 15.7051
304 2CDU FAD 0.001755 0.42998 15.7051
305 2CDU ADP 0.00009977 0.42884 15.7051
306 3OJO NAD 0.00000831 0.51788 16.3462
307 1LUA NAP 0.002197 0.42529 16.7247
308 1Z82 NDP 0.00001738 0.48225 17.6282
309 4RQU NAD 0.0002905 0.43153 22.1154
310 2DC1 NAD 0.0003126 0.43445 23.7288
311 1ZEM NAD 0.0009073 0.42245 25.1908
Pocket No.: 3; Query (leader) PDB : 5X20; Ligand: AOT; 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: 5x20.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5X20; Ligand: AOT; Similar sites found: 12
This union binding pocket(no: 4) in the query (biounit: 5x20.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JXZ BCA 0.03375 0.4043 1.85874
2 5XDT MB3 0.04492 0.40497 2.27273
3 3ET1 ET1 0.0184 0.40873 2.4055
4 1SR7 MOF 0.0322 0.41039 4.6332
5 5AR0 GB8 0.03825 0.40013 4.80769
6 2ZFU SAH 0.02836 0.40236 5.11628
7 3RSC TYD 0.02385 0.40036 5.12821
8 1LOX RS7 0.02324 0.40056 6.41026
9 3U2U UDP 0.01831 0.42648 7.22433
10 2Q97 ATP 0.02072 0.41285 7.75194
11 3MDV CL6 0.03424 0.40519 8.65385
12 4EFH ADP 0.01877 0.40879 10.6061
Pocket No.: 5; Query (leader) PDB : 5X20; Ligand: NAD; Similar sites found: 11
This union binding pocket(no: 5) in the query (biounit: 5x20.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Z0N BCD 0.01329 0.41548 None
2 4WCX MET 0.03134 0.40699 1.92308
3 4IDC NDP 0.008179 0.40428 1.92308
4 4IDC 1XX 0.008179 0.40428 1.92308
5 2J5V PCA 0.01576 0.42772 3.20513
6 2IF8 ADP 0.02077 0.41118 3.20513
7 4J7U NAP 0.01294 0.40486 3.81944
8 4J7U YTZ 0.01294 0.40486 3.81944
9 2BQP GLC 0.02666 0.40607 3.84615
10 5KJW 53C 0.0435 0.40111 5.12821
11 1J78 OLA 0.03864 0.40371 7.37179
Pocket No.: 6; Query (leader) PDB : 5X20; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5x20.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5X20; Ligand: AOT; Similar sites found: 7
This union binding pocket(no: 7) in the query (biounit: 5x20.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PKI ATP 0.02397 0.40662 2.24359
2 2V52 ATP 0.03306 0.40034 2.24359
3 3KDU NKS 0.04631 0.40889 2.52708
4 2P1C GG3 0.02585 0.41142 4.80769
5 5O4J PJL 0.04597 0.40642 9.48905
6 3MN5 ATP 0.03046 0.40217 18.4211
7 4RC8 STE 0.02772 0.40515 21.1712
Pocket No.: 8; Query (leader) PDB : 5X20; Ligand: AOT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5x20.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5X20; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 5x20.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5X20; Ligand: NAD; Similar sites found: 2
This union binding pocket(no: 10) in the query (biounit: 5x20.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WE0 UMP 0.01781 0.40778 2.7972
2 2GV8 FAD 0.0003304 0.40034 8.33333
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