Receptor
PDB id Resolution Class Description Source Keywords
1SC6 2.09 Å EC: 1.1.1.95 CRYSTAL STRUCTURE OF W139G D-3-PHOSPHOGLYCERATE DEHYDROGENASE COMPLEXED WITH NAD+ ESCHERICHIA COLI ALLOSTERIC REGULATION PHOSPHOGLYCERATE DEHYDROGENASE PGDH OXIDOREDUCTASE
Ref.: MULTICONFORMATIONAL STATES IN PHOSPHOGLYCERATE DEHYDROGENASE BIOCHEMISTRY V. 43 3450 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:2101;
B:2102;
C:2103;
D:2104;
Valid;
Valid;
Valid;
Valid;
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
1SC6 2.09 Å EC: 1.1.1.95 CRYSTAL STRUCTURE OF W139G D-3-PHOSPHOGLYCERATE DEHYDROGENASE COMPLEXED WITH NAD+ ESCHERICHIA COLI ALLOSTERIC REGULATION PHOSPHOGLYCERATE DEHYDROGENASE PGDH OXIDOREDUCTASE
Ref.: MULTICONFORMATIONAL STATES IN PHOSPHOGLYCERATE DEHYDROGENASE BIOCHEMISTRY V. 43 3450 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2P9C - SER C3 H7 N O3 C([C@@H](C....
2 1SC6 - 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 3 families.
1 2P9C - SER C3 H7 N O3 C([C@@H](C....
2 1SC6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2P9C - SER C3 H7 N O3 C([C@@H](C....
2 1SC6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
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 : 1SC6; Ligand: NAD; Similar sites found: 561
This union binding pocket(no: 1) in the query (biounit: 1sc6.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2EWM NAD 0.001898 0.40974 None
2 3LU1 NAD 0.001378 0.41762 0.824176
3 1KPG SAH 0.008144 0.40601 1.0453
4 1KOL NAD 0.00005015 0.44623 1.25628
5 1KEV NDP 0.0001879 0.43498 1.4245
6 1MXH NAP 0.004136 0.40169 1.44928
7 1LJ8 NAD 0.0006874 0.45217 1.48515
8 1M2W NAD 0.0006541 0.4494 1.48515
9 1H6C NDP 0.0003292 0.44195 1.48515
10 1H6C SIN 0.0005618 0.43561 1.48515
11 3NTD FAD 0.0006367 0.43238 1.48515
12 1VJT NAD 0.004945 0.42174 1.48515
13 3NTA FAD 0.0004669 0.40439 1.48515
14 5AHO TLA 0.01958 0.40589 1.4881
15 1RYD NDP 0.0002951 0.41571 1.55039
16 4DCM SAM 0.01016 0.41764 1.6
17 2BD0 NAP 0.00204 0.40607 1.63934
18 1JG3 ADN 0.006605 0.41943 1.70213
19 1DJN ADP 0.00001654 0.51671 1.73267
20 1O0S NAI 0.0001481 0.47659 1.73267
21 3UCL NAP 0.0008345 0.45184 1.73267
22 3UCL FAD 0.000788 0.45074 1.73267
23 3UCL CYH 0.000788 0.45074 1.73267
24 2B9W FAD 0.0008071 0.44414 1.73267
25 1RM0 NAI 0.000004896 0.4412 1.73267
26 3NT6 FAD 0.0008847 0.42699 1.73267
27 2XVE FAD 0.002884 0.42513 1.73267
28 3M6W SAM 0.01002 0.41792 1.73267
29 3GDN FAD 0.002363 0.41505 1.73267
30 3GDN HBX 0.003826 0.41413 1.73267
31 1RM0 D6P 0.00002586 0.41222 1.73267
32 1YKJ FAD 0.0006855 0.45171 1.77665
33 4CNK FAD 0.0004222 0.43911 1.79028
34 5D4V SAH 0.0000379 0.50621 1.86567
35 1P0F NAP 0.0001508 0.44769 1.87668
36 3OA2 NAD 0.00006519 0.47156 1.88679
37 1ZEM NAD 0.0002547 0.4555 1.9084
38 1KEW NAD 0.004285 0.41219 1.93906
39 1KEW TYD 0.006734 0.40366 1.93906
40 3MB5 SAM 0.00338 0.41932 1.96078
41 1RSG FAD 0.0002673 0.45132 1.9802
42 1YY5 FAD 0.0003204 0.45048 1.9802
43 1OBB NAD 0.001124 0.43612 1.9802
44 2BRY FAD 0.0008733 0.42098 1.9802
45 4TXI FAD 0.0009436 0.41839 1.9802
46 4PIV NDP 0.001292 0.41052 1.9802
47 4DMG SAM 0.01573 0.41566 2.03562
48 4RDH AMP 0.00001259 0.55567 2.08333
49 4RDI ATP 0.00003958 0.52065 2.08333
50 4NTC FAD 0.0009496 0.42917 2.08955
51 5KVA SAM 0.002369 0.42908 2.15827
52 1BDB NAD 0.00228 0.40058 2.16606
53 1OMO NAD 0.0000005466 0.57324 2.17391
54 4D79 ATP 0.000005579 0.55938 2.17391
55 3CTY FAD 0.0001847 0.45971 2.19436
56 1EZ4 NAD 0.00000118 0.54876 2.20126
57 3ICS ADP 0.000006661 0.58316 2.22772
58 3FWN ATR 0.0003072 0.43914 2.22772
59 3ICT FAD 0.0005319 0.43412 2.22772
60 3ICR FAD 0.0006148 0.43176 2.22772
61 1PS9 FAD 0.0009294 0.42953 2.22772
62 5E4R NAP 0.0008532 0.42842 2.22772
63 3S5W FAD 0.0005139 0.42463 2.22772
64 1QMG APX 0.002752 0.42308 2.22772
65 3OND NAD 0.00001371 0.42127 2.22772
66 3OND ADN 0.00001371 0.42127 2.22772
67 2DKH 3HB 0.001447 0.42004 2.22772
68 2DKH FAD 0.001137 0.41675 2.22772
69 1PS9 NAP 0.0004098 0.41381 2.22772
70 3ICT ADP 0.000007108 0.40937 2.22772
71 3ICS FAD 0.0005727 0.40155 2.22772
72 3CIF NAD 0.00001124 0.47682 2.22841
73 3CIF G3H 0.00007697 0.4629 2.22841
74 4ZRN NAD 0.001548 0.40222 2.24359
75 1X7D NAD 0.000008905 0.50495 2.28571
76 1X7D ORN 0.00001823 0.4547 2.28571
77 1DIG NAP 0.001703 0.40896 2.28758
78 1DIG L37 0.001717 0.40497 2.28758
79 1FK8 NAD 0.005244 0.40564 2.33463
80 1ZH8 NAP 0.00001159 0.4709 2.35294
81 4FN4 NAD 0.001512 0.41608 2.3622
82 2D2I NAP 0.0001149 0.47711 2.36842
83 4GLL NAD 0.001421 0.41186 2.37389
84 2VHW NAI 0.000002039 0.52333 2.38727
85 4XB2 HSE 0.00001633 0.48319 2.38806
86 4XB2 NDP 0.000001926 0.47921 2.38806
87 1I0Z NAI 0.000002406 0.52238 2.4024
88 1V6A TRE 0.00001238 0.59859 2.40964
89 4RVU NDP 0.00125 0.40621 2.40964
90 1F8F NAD 0.0002954 0.45646 2.42588
91 1L1E SAH 0.005564 0.41623 2.43902
92 1GR0 NAD 0.0000002996 0.53292 2.45232
93 1U8X NAD 0.0004332 0.44629 2.47525
94 1REO FAD 0.0003083 0.44548 2.47525
95 1KNR FAD 0.001078 0.42598 2.47525
96 5G3U FDA 0.0002046 0.41524 2.47525
97 4MIG G3F 0.003763 0.41275 2.47525
98 1UAY ADN 0.009701 0.42226 2.47934
99 2BKA NDP 0.002729 0.40891 2.47934
100 1K3T BRZ 0.000746 0.42351 2.50696
101 2X6T NAP 0.002454 0.40809 2.52101
102 1LDN NAD 0.000002162 0.51127 2.53165
103 4UP3 NDP 0.0007195 0.45132 2.54777
104 1SB8 UD2 0.001505 0.43092 2.55682
105 1SB8 NAD 0.00127 0.43027 2.55682
106 5GVR LMR 0.03548 0.40617 2.5641
107 4TSK NDP 0.0003913 0.41434 2.57143
108 4D3F NAP 0.00001628 0.52196 2.58065
109 1GUZ NAD 0.000006069 0.48645 2.58065
110 2CUL FAD 0.0001341 0.43442 2.58621
111 3HAD NAD 0.00002246 0.4085 2.5974
112 4XDZ NDP 0.0005579 0.44524 2.62391
113 2DTX BMA 0.002526 0.41086 2.65152
114 2Q1S NAI 0.00079 0.43434 2.65252
115 3B1J NAD 0.00004619 0.47364 2.65487
116 3B20 NAD 0.00007742 0.43102 2.65487
117 2EV9 NAP 0.00001775 0.48186 2.6616
118 2EV9 SKM 0.00001775 0.48186 2.6616
119 1RM4 NDP 0.00004914 0.44886 2.67062
120 3RKR NAP 0.01976 0.41446 2.67176
121 4BVA NDP 0.00003492 0.46739 2.68657
122 4BVA T3 0.0002512 0.44763 2.68657
123 4MDH NAD 0.0001136 0.46581 2.69461
124 1DSS NAD 0.000004897 0.52885 2.7027
125 4KOA NDP 0.0001852 0.49508 2.7027
126 5MDH NAD 0.000172 0.45874 2.7027
127 1HDG NAD 0.0000344 0.49443 2.71084
128 1J0X NAD 0.00006977 0.47485 2.71084
129 1E5Q NDP 0.000003181 0.52221 2.72277
130 2BH9 NAP 0.0003465 0.48736 2.72277
131 1H82 GZZ 0.0006479 0.45193 2.72277
132 1H82 FAD 0.0007428 0.44639 2.72277
133 2ZXI FAD 0.00005475 0.43849 2.72277
134 1P31 EPU 0.005323 0.42371 2.72277
135 4K5S FAD 0.0008696 0.41543 2.72277
136 3MJE NDP 0.001974 0.40088 2.72277
137 2Y6Q FAD 0.0002852 0.43751 2.76382
138 2Q46 NAP 0.001544 0.41847 2.7668
139 1WVG APR 0.006934 0.40069 2.78552
140 2VT3 ATP 0.000000003837 0.48603 2.7907
141 5W3X ACO 0.006561 0.45088 2.84091
142 1YKF NAP 0.0005354 0.43322 2.84091
143 1R37 NAD 0.0001179 0.45458 2.88184
144 3JV7 NAD 0.00001064 0.49786 2.89855
145 2B4Q NAP 0.001732 0.41384 2.89855
146 1GV0 NAD 0.000007708 0.48724 2.90323
147 1EQ2 NAP 0.001413 0.4172 2.90323
148 5AYV KPL 0.000169 0.45016 2.91262
149 5AYV NAP 0.00005152 0.43279 2.91262
150 1E3I CXF 0.00004376 0.44749 2.92553
151 4R5M NAP 0.0009392 0.42681 2.92553
152 4R5M 4NO 0.001294 0.41597 2.92553
153 1D1T NAD 0.00001078 0.48983 2.94906
154 2CDU FAD 0.00005175 0.47076 2.9703
155 2CDU ADP 0.00000303 0.4372 2.9703
156 4HXY NDP 0.0003851 0.42938 2.9703
157 3QJ4 FAD 0.0002379 0.41292 2.9703
158 3FG2 FAD 0.001522 0.40651 2.9703
159 1DLJ NAI 0.000006027 0.42539 2.98507
160 1Z82 NDP 0.001331 0.42383 2.98507
161 1DLJ UGA 0.00001821 0.41322 2.98507
162 2RGJ FAD 0.00212 0.40133 2.98507
163 1N1G BCP 0.0008332 0.40908 3.00546
164 3CBG SAH 0.01492 0.40638 3.01724
165 5FJN BE2 0.002203 0.41912 3.07018
166 5FJN FAD 0.001851 0.41912 3.07018
167 1F06 2NP 0.0002778 0.44076 3.125
168 1F06 NDP 0.0002778 0.44076 3.125
169 5ITV NAI 0.001283 0.4161 3.13725
170 1OSS BEN 0.04933 0.40117 3.13901
171 4KQW NAP 0.0004538 0.43285 3.14286
172 1NV8 SAM 0.001111 0.40486 3.16901
173 1NV8 MEQ 0.00128 0.40258 3.16901
174 1XPJ TLA 0.04728 0.42263 3.1746
175 3DXY SAM 0.001812 0.46238 3.21101
176 1MO9 FAD 0.0006803 0.46133 3.21782
177 1MO9 KPC 0.0007435 0.46034 3.21782
178 2VVM FAD 0.0003388 0.44511 3.21782
179 4XQC NAD 0.000008116 0.4411 3.21782
180 4XQC 13D 0.00001503 0.42869 3.21782
181 1UP7 NAD 0.0001566 0.42547 3.21782
182 1Z45 NAD 0.001343 0.41804 3.21782
183 1Q19 SSC 0.02709 0.41354 3.21782
184 2VVL FAD 0.0003137 0.40348 3.21782
185 5KOD IAC 0.03673 0.4031 3.21782
186 3WLE NAD 0.00001633 0.48952 3.22581
187 2EG5 SAH 0.02176 0.40512 3.22581
188 4XDY NAI 0.0000966 0.47233 3.25444
189 3WBF NAP 0.000006387 0.51052 3.27869
190 3WBF API 0.00001505 0.47864 3.27869
191 1RPN NDP 0.001933 0.40693 3.28358
192 2GAG NAD 0.0001625 0.45348 3.33333
193 2GAG FAD 0.0009307 0.43361 3.33333
194 2GAG FOA 0.0009307 0.43361 3.33333
195 2CVQ NDP 0.00001746 0.49366 3.36391
196 5BW4 SAM 0.01225 0.41038 3.37079
197 5GZ6 NDP 0.00000772 0.54132 3.37423
198 5GZ6 7C3 0.00001528 0.51816 3.37423
199 1YS4 NAP 0.00007818 0.42111 3.38983
200 5GT9 NAP 0.001531 0.41323 3.42205
201 2NVK NAP 0.0007581 0.4985 3.46535
202 1ZQ9 SAM 0.0001688 0.49197 3.46535
203 1NVT NAP 0.00005718 0.43593 3.46535
204 1RYI FAD 0.0006551 0.43533 3.46535
205 3IHG FAD 0.0008933 0.42765 3.46535
206 2FR1 NDP 0.0006162 0.4252 3.46535
207 2IVD FAD 0.0002378 0.4218 3.46535
208 2HMT NAI 0.000005146 0.54344 3.47222
209 4XZ3 COA 0.0002666 0.46583 3.47826
210 3GGO NAI 0.00001054 0.4456 3.50318
211 3GGO ENO 0.00001054 0.4456 3.50318
212 5X20 NAD 0.0002277 0.46106 3.52564
213 2GZ3 NAP 0.000077 0.4004 3.55191
214 2G5C NAD 0.000001229 0.53346 3.55872
215 4B7X NAP 0.00125 0.40968 3.57143
216 2F1K NAP 0.000000937 0.55276 3.58423
217 3CMC NAD 0.000159 0.47968 3.59281
218 2GLX NDP 0.0007208 0.4441 3.61446
219 4IDC NDP 0.0003466 0.43582 3.61446
220 4IDC 1XX 0.0003466 0.43582 3.61446
221 2HK9 ATR 0.000005608 0.59478 3.63636
222 2HK9 NAP 0.00001187 0.50871 3.63636
223 5KVS NAP 0.0006181 0.44686 3.63636
224 2PZM NAD 0.001187 0.42754 3.63636
225 2PZM UDP 0.001187 0.42754 3.63636
226 5KVS 6XR 0.001886 0.40351 3.63636
227 1M0S CIT 0.03449 0.4057 3.65297
228 3WV8 ATP 0.000003587 0.56186 3.66972
229 5T9E NAP 0.0003335 0.41884 3.69004
230 5T9F NAP 0.0003812 0.41621 3.69004
231 5T9F TYR 0.0003708 0.41314 3.69004
232 2PV7 NAD 0.00001728 0.49794 3.69128
233 2YVF FAD 0.0002877 0.46531 3.71287
234 2YVF NAD 0.0003013 0.46531 3.71287
235 2QRK AMP 0.0003077 0.4443 3.71287
236 4RSL FAD 0.0002093 0.42314 3.71287
237 2RGO FAD 0.001223 0.42052 3.71287
238 3G5S FAD 0.0002748 0.41633 3.71287
239 4J1Q NDP 0.001405 0.40012 3.71287
240 4TQG NDP 0.000104 0.44373 3.71517
241 1VL8 NAP 0.0008056 0.41671 3.74532
242 4W6Z 8ID 0.0001193 0.45718 3.7464
243 2B4R NAD 0.00001812 0.48524 3.76812
244 2B4R AES 0.00006418 0.46821 3.76812
245 1I36 NAP 0.0000788 0.42593 3.78788
246 1R6N 434 0.03119 0.41105 3.79147
247 5KKA 6V0 0.00000657 0.49773 3.84615
248 2YY7 NAD 0.0001947 0.44011 3.84615
249 5H81 NAP 0.000001342 0.5685 3.85604
250 3AFN NAP 0.002459 0.40436 3.87597
251 1HYE NAP 0.0005087 0.454 3.9604
252 5VN0 NAI 0.0002898 0.45326 3.9604
253 5VN0 FAD 0.0001022 0.42614 3.9604
254 5JWC FAD 0.000314 0.42262 3.9604
255 2X3N FAD 0.000329 0.4139 3.9604
256 1UJ5 5RP 0.01907 0.41148 3.96476
257 3NGL NAP 0.004868 0.41877 3.98551
258 1U3U NAD 0.0000402 0.42405 4.01069
259 1U3U BNF 0.0000402 0.42405 4.01069
260 5U5G NAP 0.0001004 0.46432 4.0678
261 2YYY NAP 0.00009601 0.4448 4.08163
262 2ZL4 ALA ALA ALA ALA 0.04071 0.408 4.08163
263 1I8T FAD 0.000973 0.42657 4.08719
264 1YQD NAP 0.0001181 0.44651 4.09836
265 2V6G NAP 0.0009487 0.41518 4.12088
266 4USQ FAD 0.003437 0.4002 4.15512
267 4CM8 NAP 0.002222 0.41236 4.16667
268 3JQA NAP 0.002653 0.41205 4.16667
269 4CMI NAP 0.002457 0.41068 4.16667
270 5JCJ NAP 0.002649 0.40941 4.16667
271 5JDC NAP 0.002779 0.4086 4.16667
272 3JQB NAP 0.003297 0.40835 4.16667
273 5JDI NAP 0.002823 0.40834 4.16667
274 3BMO NAP 0.0029 0.40789 4.16667
275 4CLR NAP 0.003073 0.40692 4.16667
276 4CM4 NAP 0.003135 0.40658 4.16667
277 3JQG NAP 0.003787 0.40598 4.16667
278 3JQF NAP 0.002982 0.40487 4.16667
279 3JQ7 NAP 0.004195 0.40423 4.16667
280 4CLO NAP 0.004435 0.40328 4.16667
281 3BMN NAP 0.00331 0.40315 4.16667
282 4CME NAP 0.00401 0.40245 4.16667
283 3BMQ NAP 0.003555 0.40196 4.16667
284 3JQ8 NAP 0.003781 0.40095 4.16667
285 4CM9 NAP 0.003966 0.40016 4.16667
286 1V59 FAD 0.0005772 0.44164 4.1841
287 3OJO NAD 0.000001091 0.56648 4.20792
288 1ZMD NAI 0.0000532 0.48674 4.20792
289 1JNR FAD 0.001261 0.44777 4.20792
290 1QO8 FAD 0.0004386 0.44308 4.20792
291 3ETG GLU 0.001307 0.43417 4.20792
292 3ETG GTP 0.001113 0.42962 4.20792
293 3C7A NAD 0.01371 0.41865 4.20792
294 2Q1W NAD 0.000955 0.4182 4.20792
295 2QZZ EMF 0.002007 0.41355 4.20792
296 2QZZ NAP 0.002054 0.41205 4.20792
297 1PL6 NAD 0.0000142 0.52974 4.21348
298 1PL6 572 0.0001243 0.45078 4.21348
299 4RKX 3S9 0.02159 0.42065 4.21456
300 3LZW FAD 0.0003199 0.40977 4.21687
301 1G0N NDP 0.00404 0.40207 4.24028
302 1G0N PHH 0.005208 0.40093 4.24028
303 1JAY NAP 0.00005584 0.49899 4.24528
304 2DT5 NAD 0.0000004131 0.55645 4.2654
305 1ZBQ NAD 0.002919 0.40034 4.28135
306 1ORR NAD 0.0004449 0.43181 4.32277
307 5BSH PRO 0.0006484 0.42439 4.33213
308 5O4J PJL 0.00007888 0.45957 4.37956
309 5O4J SAH 0.00009371 0.45828 4.37956
310 5O4J 9KH 0.00009371 0.45828 4.37956
311 3ORF NAD 0.0004711 0.43839 4.38247
312 3ABI NAD 0.00002545 0.48347 4.38356
313 1P77 ATR 0.000005503 0.61265 4.41176
314 2BOS GLA GAL GLC 0.01937 0.41341 4.41176
315 2BOS GLA GAL GLC NBU 0.02134 0.41089 4.41176
316 3G89 SAM 0.006658 0.43022 4.41767
317 4L8V NAP 0.00002995 0.46564 4.45104
318 1CF2 NAP 0.00001581 0.46544 4.45104
319 1MV8 NAD 0.000000897 0.55352 4.45545
320 1MUU NAD 0.000001406 0.55089 4.45545
321 1VKO NAD 0.00006402 0.46137 4.45545
322 4A0S NAP 0.0005594 0.42957 4.45545
323 5M67 NAD 0.00002703 0.41242 4.45545
324 5M67 ADE 0.00003104 0.40956 4.45545
325 5M67 3D1 0.00003313 0.40882 4.45545
326 4REP FAD 0.0004029 0.40254 4.45545
327 4DPL NAP 0.0000232 0.485 4.45682
328 5L0R UDP 0.008205 0.41512 4.48179
329 2XYQ SAH 0.01103 0.40924 4.48276
330 1C3V NDP 0.00004814 0.46939 4.4898
331 1BXK NAD 0.0006117 0.41476 4.50704
332 3H4V NAP 0.003494 0.40225 4.51389
333 3SSO SAH 0.0009988 0.44891 4.53461
334 1CDO NAD 0.00001516 0.50446 4.54545
335 3VYW SAM 0.005369 0.41691 4.54545
336 1B8U OAA 0.0008235 0.42057 4.55927
337 1B8U NAD 0.00007567 0.41696 4.55927
338 4JBI NDP 0.001376 0.4293 4.59459
339 3TWO NDP 0.00002557 0.45983 4.5977
340 2AE2 NAP 0.001336 0.42245 4.61538
341 1Y8Q ATP 0.00004232 0.49506 4.62428
342 1XHC FAD 0.0002531 0.42112 4.63215
343 4JJF FE9 0.0001621 0.45975 4.65116
344 4JJF N2I 0.0002264 0.44742 4.65116
345 2FKA BEF 0.007315 0.4464 4.65116
346 3KLJ FAD 0.0003211 0.43097 4.67532
347 1LVL NAD 0.00005307 0.50469 4.70297
348 3LAD FAD 0.00099 0.42954 4.70297
349 3L9W AMP 0.000621 0.42178 4.70297
350 3L9W GSH 0.0008124 0.4106 4.70297
351 4G74 FAD 0.0007282 0.40638 4.70297
352 1X14 NAD 0.00002202 0.53804 4.73815
353 5LD5 NAD 0.00001992 0.51331 4.7486
354 1DRV A3D 0.0004911 0.45844 4.7619
355 4NBU NAI 0.002071 0.40832 4.8
356 1VM6 NAD 0.000147 0.42594 4.82456
357 2I3G NAP 0.00002705 0.47874 4.82955
358 4K28 NAD 0.000003376 0.53542 4.83271
359 3RFV NAI 0.001764 0.41903 4.86891
360 3RFV 15L 0.002326 0.4171 4.86891
361 2NU8 COA 0.0000593 0.48079 4.89691
362 4E13 NAD 0.000003921 0.4555 4.947
363 1V8B NAD 0.000004832 0.47959 4.9505
364 3T31 DCQ 0.0003923 0.45744 4.9505
365 3T31 FAD 0.0003712 0.45667 4.9505
366 4J36 1HR 0.0004502 0.44373 4.9505
367 4J36 FAD 0.0002398 0.44172 4.9505
368 5EOW FAD 0.0009857 0.40914 4.9505
369 1GY8 NAD 0.002504 0.40524 4.9505
370 5UAO FAD 0.003755 0.40327 4.9505
371 3F8D FAD 0.003545 0.42746 4.95356
372 1LLU NAD 0.00001186 0.47646 4.97076
373 3FZG SAM 0.005754 0.4294 5
374 1LTH NAD 0.000001065 0.56125 5.01567
375 4J4H NAI 0.0000007835 0.55392 5.01931
376 4J4H 1J1 0.0000007835 0.55392 5.01931
377 4JK3 NAD 0.00000003768 0.55236 5.01931
378 1O8B ABF 0.0197 0.41852 5.02283
379 3NJ4 NAD 0.0001062 0.51135 5.05747
380 3NJ4 AFX 0.000281 0.49301 5.05747
381 3L4S NAD 0.0001184 0.45155 5.05952
382 3L4S 3PG 0.0001221 0.44592 5.05952
383 4YCA NDP 0.00004067 0.48733 5.10204
384 1U1I NAD 0.00002669 0.46537 5.10204
385 1KYQ NAD 0.0000008237 0.60435 5.10949
386 2NXE SAM 0.004102 0.42887 5.11811
387 4YSX FAD 0.0001838 0.41023 5.12821
388 2IXB NAD 0.00007101 0.46308 5.19802
389 5MQ6 NDP 0.0007478 0.44695 5.19802
390 2IXB A2G 0.0001267 0.42417 5.19802
391 1R6D NAD 0.003239 0.41859 5.34125
392 1R6D DAU 0.00388 0.4147 5.34125
393 2FK8 SAM 0.005446 0.41663 5.34591
394 2BGM NAJ 0.0006617 0.40687 5.39568
395 3EGV SAH 0.006786 0.42235 5.44218
396 2IZ1 ATR 0.000006827 0.61384 5.44554
397 5VKT NAP 0.0002253 0.4475 5.44554
398 4EIP K2C 0.001065 0.43231 5.44554
399 4EIP FAD 0.001654 0.42298 5.44554
400 2AQJ TRP 0.003269 0.42149 5.44554
401 2AQJ FAD 0.003409 0.42149 5.44554
402 3H8V ATP 0.0000007058 0.60025 5.47945
403 2YVJ NAI 0.00001962 0.53451 5.50459
404 2DC1 NAD 0.000008518 0.47723 5.50847
405 1EBF NAD 0.000003738 0.47743 5.58659
406 5UAV TFB 0.000007754 0.47296 5.59006
407 5UAV NDP 0.000007754 0.47296 5.59006
408 4RQU NAD 0.000005098 0.5143 5.6
409 1LSS NAD 0.000003189 0.55813 5.69307
410 5JCM FAD 0.001014 0.44557 5.69307
411 5JCM ISD 0.001057 0.44557 5.69307
412 5JCM NAD 0.001057 0.44557 5.69307
413 5TUK FAD 0.00253 0.41287 5.69307
414 4X1B MLI 0.0353 0.40581 5.69307
415 2AG8 NAP 0.00002185 0.43782 5.70342
416 2Q0L NAP 0.0002476 0.49428 5.78778
417 3EGI ADP 0.009659 0.43943 5.82524
418 3DAG FEG 0.0001513 0.42463 5.86592
419 5THQ NDP 0.001819 0.4023 5.88235
420 1NPD NAD 0.002239 0.42372 5.90278
421 5L4L NAP 0.005579 0.40728 5.92105
422 1WDK NAD 0.000001484 0.48262 5.94059
423 2GV8 NDP 0.002202 0.42402 5.94059
424 2GVC FAD 0.0007777 0.42285 5.94059
425 1VQW FAD 0.0009049 0.41445 5.94059
426 2GV8 FAD 0.0009855 0.40877 5.94059
427 1XCL SAH 0.001767 0.40837 5.95745
428 5N2I NAP 0.000218 0.40849 6.03448
429 3SJU NDP 0.002395 0.40596 6.09319
430 3A06 NDP 0.001001 0.40917 6.11702
431 3A06 FOM 0.001109 0.40001 6.11702
432 1UWK URO 0.0001577 0.40037 6.18812
433 1UWK NAD 0.0001577 0.40037 6.18812
434 2D5A COA 0.0004327 0.45696 6.25
435 1NYT NAP 0.00003718 0.49306 6.27306
436 5JE8 NAD 0.000001335 0.5518 6.29139
437 1FEC FAD 0.0002282 0.45828 6.43564
438 3UOY NAP 0.002819 0.42962 6.43564
439 5TUF FAD 0.001151 0.41522 6.43564
440 1HYH NAD 0.0000006111 0.54025 6.47249
441 4MP8 NAD 0.0000142 0.49327 6.48968
442 1AE1 NAP 0.001622 0.41105 6.59341
443 1O6Z NAD 0.00001763 0.51081 6.60066
444 2WPF WPF 0.001066 0.4614 6.68317
445 2WPF FAD 0.0009854 0.46133 6.68317
446 5FI3 NAP 0.000213 0.44843 6.68317
447 4TM3 FAD 0.002434 0.43288 6.68317
448 4OOE NDP 0.001628 0.42331 6.68317
449 1YJQ NAP 0.00003771 0.46416 6.93069
450 4FWE FAD 0.0003486 0.448 6.93069
451 1SOW NAD 0.000001552 0.52078 7.0122
452 1P1C SAH 0.0001802 0.473 7.03518
453 3VPH OXM 0.00000181 0.49932 7.09677
454 3VPH NAD 0.000004563 0.49725 7.09677
455 3U4C NDP 0.001216 0.40499 7.11744
456 1T26 NAI 0.0000007931 0.54813 7.14286
457 2CVZ NDP 0.00001349 0.50649 7.17822
458 1A5Z NAD 0.0000001798 0.60598 7.21003
459 4II2 ATP 0.0000846 0.49583 7.36196
460 3AD8 NAD 0.0002272 0.44401 7.38916
461 3AD8 FAD 0.003032 0.42768 7.38916
462 1G8S MET 0.01744 0.42498 7.3913
463 1WP4 NDP 0.000003003 0.52778 7.42574
464 1GQ2 NAP 0.0001043 0.46367 7.42574
465 2A92 NAI 0.00000322 0.50912 7.47664
466 1NVM NAD 0.00001378 0.48968 7.53623
467 1TDF NAP 0.005559 0.41944 7.59494
468 1TDF FAD 0.002478 0.41807 7.59494
469 2QA1 FAD 0.0003509 0.42092 7.6
470 2ZWS PLM 0.02715 0.42353 7.67327
471 3CGB FAD 0.0003569 0.4122 7.67327
472 1XHL NDP 0.002335 0.40391 7.74411
473 4CQM NAP 0.003795 0.40089 7.78689
474 3GD4 NAD 0.0001609 0.47508 7.92079
475 1BZL FAD 0.0008384 0.46482 7.92079
476 4BV6 FAD 0.0003024 0.44814 7.92079
477 3GD4 FAD 0.0006737 0.40372 7.92079
478 1VI2 NAD 0.0009948 0.44528 8
479 1UXG NAD 0.000004813 0.51244 8.09062
480 4ZGR NGA GAL 0.0257 0.41685 8.09717
481 2AHR NAP 0.002217 0.40976 8.10811
482 1WZ1 DNS 0.04243 0.40517 8.13008
483 1X87 NAD 0.00003773 0.4378 8.16832
484 2FZW NAD 0.00002284 0.49349 8.31099
485 5KMS FAD 0.0007835 0.40406 8.41584
486 4PLT OXM 0.000003396 0.41929 8.45921
487 4PLT NAI 0.000003484 0.4134 8.45921
488 4PLG NAI 0.000001298 0.4932 8.68263
489 9LDB NAD 0.000002277 0.5189 8.73494
490 9LDT NAD 0.000002241 0.51045 8.73494
491 4ZVV NAD 0.000006075 0.40268 8.73494
492 4ZVV GN0 0.000006075 0.40268 8.73494
493 1PZG A3D 0.00001231 0.46152 8.76133
494 2HJR APR 0.000001607 0.55939 8.84146
495 3WMX NAD 0.0002671 0.45467 8.93855
496 5H2U 1N1 0.01843 0.40865 8.98876
497 3Q3C NAD 0.0000674 0.4867 9.0301
498 4CJX NAP 0.002268 0.42046 9.40439
499 1FWV SGA MAG FUC 0.00519 0.45455 9.70149
500 4U7W NDP 0.002734 0.41154 9.7619
501 2C29 NAP 0.001897 0.41502 9.79228
502 2V3A FAD 0.0003593 0.44176 9.89583
503 2V3B FAD 0.0002839 0.41664 9.89583
504 3GFB NAD 0.00008628 0.47051 10
505 1EJ0 SAM 0.006396 0.42006 10
506 2DFV NAD 0.00005847 0.47714 10.0865
507 1BW9 NAD 0.000003399 0.55118 10.1124
508 1BXG NAD 0.000003428 0.48624 10.1124
509 1C1X NAD 0.000003578 0.52951 10.1408
510 1E6E FAD 0.0003736 0.43862 10.1562
511 5E8J SAH 0.02229 0.40461 10.5769
512 1LDM NAD 0.000002609 0.52104 10.6383
513 1GET NAP 0.001468 0.44183 10.6436
514 1GET FAD 0.002176 0.43354 10.6436
515 3SJ7 NDP 0.003304 0.4057 10.7143
516 5CAE COA 0.000009418 0.52207 10.8626
517 5CAE SIN 0.00002905 0.46853 10.8626
518 1W73 NAP 0.0009659 0.43884 10.9272
519 1W8D NAP 0.001177 0.43529 10.9272
520 1H2B NAJ 0.000003754 0.50015 11.1386
521 5L95 AMP 0.000003761 0.56094 11.25
522 1TB4 PEJ 0.001657 0.41457 11.3861
523 5L53 NAP 0.009968 0.40222 11.4198
524 4GKV NAD 0.00002119 0.46769 11.6071
525 3LXD FAD 0.0006676 0.42792 11.8812
526 3OFK SAH 0.005725 0.42579 12.037
527 2HNK SAH 0.0135 0.4022 12.1339
528 2F5Z FAD 0.0007209 0.43587 12.5
529 1F8G NAD 0.0003585 0.46431 12.7604
530 1SAY PYR 0.000004629 0.50676 13.0194
531 1RP0 AHZ 0.0003443 0.4345 13.0282
532 2OOR NAD 0.0003489 0.46482 13.2812
533 1NM5 NAD 0.00187 0.4272 13.8021
534 3SQP FAD 0.005721 0.44737 14.3564
535 4MO2 FDA 0.0007614 0.40115 14.9457
536 1CER NAD 0.0000107 0.51051 15.4079
537 3V1Y NAD 0.00000749 0.51669 15.4303
538 3H9E NAD 0.00002483 0.4959 16.185
539 1O94 ADP 0.00003082 0.50076 16.5625
540 4RJD TFP 0.03126 0.41217 16.6667
541 1J5P NAD 0.00000132 0.5418 16.996
542 2VYN NAD 0.00001187 0.50013 18.429
543 1GAD NAD 0.00002451 0.45543 18.4848
544 3QV1 NAD 0.00001732 0.50655 19.5122
545 2VOH CIT 0.03796 0.40888 21.6561
546 1E3W NAD 0.002352 0.40879 24.1379
547 2O4C NAD 0.00000003546 0.57559 28.4211
548 3B1F NAD 0.000004658 0.5453 28.6207
549 4XYB NDP 0.00000008311 0.55184 30.4348
550 2NAD NAD 0.0000001322 0.56596 30.5344
551 2GSD NAD 0.000000162 0.53483 32.5871
552 4ZGS NAD 0.00000002529 0.54548 33.1606
553 5DN9 NAD 0.0000000227 0.57969 34.3407
554 1HKU NAD 0.0000002363 0.55567 34.3575
555 1J49 NAD 0.00000000334 0.63725 34.8348
556 2GCG NDP 0.000001948 0.53043 36.0606
557 1DXY NAD 0.000000003737 0.58523 36.3363
558 3BAZ NAP 0.00000003779 0.61474 36.9369
559 2DBZ NAP 0.00000004468 0.56109 39.2216
560 4E5N NAD 0.00000005956 0.57804 42.1212
561 3KB6 NAD 0.00000005092 0.59732 42.8144
Pocket No.: 2; Query (leader) PDB : 1SC6; Ligand: NAD; 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: 1sc6.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SC6; 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: 1sc6.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1SC6; 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: 1sc6.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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