Receptor
PDB id Resolution Class Description Source Keywords
1W73 2.1 Å EC: 1.3.1.34 BINARY STRUCTURE OF HUMAN DECR SOLVED BY SEMET SAD. HOMO SAPIENS SHORT CHAIN DEHYDROGENASE REDUCTASE SELENOMETHIONINE SAD DIENOYL-COA OXIDOREDUCTASE
Ref.: STRUCTURE AND REACTIVITY OF HUMAN MITOCHONDRIAL 2,4-DIENOYL-COA REDUCTASE: ENZYME-LIGAND INTERACTIONS IN A DISTINCTIVE SHORT-CHAIN REDUCTASE ACTIVE SITE J.BIOL.CHEM. V. 280 3068 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1329;
D:1328;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAP A:1330;
B:1330;
C:1330;
D:1330;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W73 2.1 Å EC: 1.3.1.34 BINARY STRUCTURE OF HUMAN DECR SOLVED BY SEMET SAD. HOMO SAPIENS SHORT CHAIN DEHYDROGENASE REDUCTASE SELENOMETHIONINE SAD DIENOYL-COA OXIDOREDUCTASE
Ref.: STRUCTURE AND REACTIVITY OF HUMAN MITOCHONDRIAL 2,4-DIENOYL-COA REDUCTASE: ENZYME-LIGAND INTERACTIONS IN A DISTINCTIVE SHORT-CHAIN REDUCTASE ACTIVE SITE J.BIOL.CHEM. V. 280 3068 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1W73 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1W73 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1W73 - NAP C21 H28 N7 O17 P3 c1cc(c[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 : 1W73; Ligand: NAP; Similar sites found: 633
This union binding pocket(no: 1) in the query (biounit: 1w73.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UP7 NAD 0.0024 0.41388 0.993378
2 1I2B NAD 0.00000007156 0.64368 1.3245
3 3WMX NAD 0.00000007371 0.57397 1.3245
4 1I2B USQ 0.0006715 0.49987 1.3245
5 1I2B UPG 0.0006715 0.49987 1.3245
6 4GKV NAD 0.00006371 0.49076 1.3245
7 2EXX NAP 0.0001172 0.47972 1.3245
8 4RW3 TDA 0.03375 0.40424 1.3245
9 1R6D NAD 0.00000002548 0.66218 1.65563
10 1R6D DAU 0.00000002373 0.66218 1.65563
11 1E7S NAP 0.00000003274 0.62383 1.65563
12 5JAQ NAI 0.00002849 0.51254 1.65563
13 4XQC NAD 0.0002201 0.47945 1.65563
14 4XQC 13D 0.0002661 0.47699 1.65563
15 2FZW NAD 0.001419 0.44461 1.65563
16 1O6Z NAD 0.000547 0.43798 1.65563
17 1KOL NAD 0.001901 0.43162 1.65563
18 5EOW FAD 0.003006 0.4209 1.65563
19 4AP3 NAP 0.01008 0.41937 1.65563
20 4AP3 FAD 0.01008 0.41937 1.65563
21 1CF2 NAP 0.002613 0.41394 1.65563
22 2WET FAD 0.008652 0.40891 1.65563
23 1X7D ORN 0.00919 0.40383 1.65563
24 1X7D NAD 0.006485 0.40072 1.65563
25 2CUL FAD 0.001058 0.44109 1.72414
26 2G5C NAD 0.0005127 0.44731 1.77936
27 3A27 SAM 0.005204 0.41442 1.83824
28 1OC2 NAD 0.00000009068 0.64038 1.98676
29 1OC2 TDX 0.00000009068 0.64038 1.98676
30 1N7G NDP 0.0000007793 0.61138 1.98676
31 2C29 NAP 0.0000002615 0.60536 1.98676
32 1N7G GDR 0.000001574 0.58544 1.98676
33 2C29 DQH 0.0000009021 0.58221 1.98676
34 4PVD NDP 0.0000002365 0.57747 1.98676
35 3WLE NAD 0.0006861 0.45024 1.98676
36 3L9W AMP 0.001928 0.42507 1.98676
37 4DSG UDP 0.008134 0.42356 1.98676
38 4DSG FAD 0.008134 0.42356 1.98676
39 3AYI FAD 0.006808 0.42195 1.98676
40 3AYI HCI 0.007085 0.42195 1.98676
41 2XVF FAD 0.003702 0.42055 1.98676
42 4X9M FAD 0.004713 0.41924 1.98676
43 4D04 FAD 0.01127 0.41848 1.98676
44 4D04 NAP 0.01127 0.41848 1.98676
45 4R5M 4NO 0.004191 0.41116 1.98676
46 4R5M NAP 0.003606 0.41116 1.98676
47 1H6C NDP 0.006892 0.40913 2.07852
48 1H6C SIN 0.01112 0.40231 2.07852
49 1NVT NAP 0.00148 0.42068 2.09059
50 3WV8 ATP 0.001038 0.41294 2.29358
51 1ORR NAD 0.0000000006936 0.69551 2.31788
52 4U7W NDP 0.000000004514 0.64966 2.31788
53 4J36 1HR 0.0007048 0.45769 2.31788
54 4J36 FAD 0.0004852 0.45261 2.31788
55 2CDU FAD 0.0008831 0.44563 2.31788
56 1U1I NAD 0.0008913 0.44295 2.31788
57 1U3U BNF 0.001471 0.44292 2.31788
58 1U3U NAD 0.001471 0.44292 2.31788
59 2E5V FAD 0.001836 0.43979 2.31788
60 2CVQ NDP 0.001024 0.43351 2.31788
61 3WGT QSC 0.003697 0.43117 2.31788
62 3WGT FAD 0.00366 0.4305 2.31788
63 5H81 NAP 0.001322 0.42941 2.31788
64 3HDY FAD 0.007019 0.4271 2.31788
65 3HDY GDU 0.00763 0.42613 2.31788
66 3HDY FDA 0.007377 0.42613 2.31788
67 5M67 NAD 0.00485 0.42601 2.31788
68 5M67 ADE 0.004867 0.42595 2.31788
69 5LD5 NAD 0.0009036 0.42572 2.31788
70 5M67 3D1 0.005298 0.42434 2.31788
71 2BH9 NAP 0.007854 0.41347 2.31788
72 1OMO NAD 0.002497 0.41158 2.31788
73 4IDC NDP 0.006343 0.40617 2.31788
74 4IDC 1XX 0.006343 0.40617 2.31788
75 1U8X NAD 0.00229 0.40383 2.31788
76 2CDU ADP 0.001065 0.40181 2.31788
77 3ELW GP3 0.008805 0.40951 2.33333
78 3ELW SAM 0.01168 0.40331 2.33333
79 3MB5 SAM 0.0008051 0.42729 2.35294
80 1WP4 NDP 0.0006277 0.44063 2.42215
81 2OBF SAH 0.00833 0.41054 2.42215
82 2OBF F83 0.00833 0.41054 2.42215
83 2CVZ NDP 0.005019 0.40246 2.42215
84 2RGJ FAD 0.005319 0.40935 2.48756
85 1SB8 UD2 0.00000001049 0.67777 2.64901
86 1SB8 NAD 0.00000001517 0.6649 2.64901
87 4PIV NDP 0.00000001672 0.63368 2.64901
88 4R1S NAP 0.00000001866 0.62208 2.64901
89 2PZM UDP 0.0000001281 0.6187 2.64901
90 2PZM NAD 0.0000001281 0.6187 2.64901
91 1EQ2 NAP 0.0000001156 0.59693 2.64901
92 3LU1 NAD 0.000000004602 0.588 2.64901
93 2X6T NAP 0.0000001964 0.58749 2.64901
94 1GV0 NAD 0.0000821 0.47995 2.64901
95 3CMC NAD 0.002043 0.45397 2.64901
96 1WDK NAD 0.0001896 0.4521 2.64901
97 1R37 NAD 0.000939 0.442 2.64901
98 3G5S FAD 0.001501 0.43711 2.64901
99 5UAO FAD 0.00179 0.43501 2.64901
100 1J5P NAD 0.001036 0.43178 2.64901
101 3H9E NAD 0.000979 0.4312 2.64901
102 1D4D FAD 0.003897 0.4257 2.64901
103 3NTD FAD 0.003357 0.42343 2.64901
104 4C3Y FAD 0.005222 0.41832 2.64901
105 4C3Y ANB 0.007678 0.41562 2.64901
106 3NT6 FAD 0.005394 0.41469 2.64901
107 3OZ2 FAD 0.008504 0.40827 2.64901
108 1N1G BCP 0.008193 0.4038 2.64901
109 3FPF TNA 0.01122 0.40216 2.68456
110 3FPF MTA 0.01122 0.40216 2.68456
111 1I8T FAD 0.001246 0.4428 2.7248
112 1KYQ NAD 0.001465 0.40198 2.91971
113 5T9F TYR 0.002044 0.43145 2.95203
114 5T9F NAP 0.00213 0.42954 2.95203
115 5T9E NAP 0.003672 0.40796 2.95203
116 4GLL NAD 0.000000003527 0.66388 2.98013
117 1GY8 NAD 0.00000002187 0.62887 2.98013
118 5MSO NAP 0.00000001799 0.62271 2.98013
119 3V1Y NAD 0.0002456 0.45549 2.98013
120 1H9A NAP 0.0005332 0.45226 2.98013
121 1A5Z NAD 0.0001485 0.4512 2.98013
122 4L8V NAP 0.000492 0.44805 2.98013
123 2B4R NAD 0.0005461 0.44766 2.98013
124 5MDH NAD 0.0006005 0.44141 2.98013
125 1YQZ FAD 0.005256 0.43137 2.98013
126 1J49 NAD 0.001191 0.43082 2.98013
127 1YJQ NAP 0.002229 0.42508 2.98013
128 1EBF NAD 0.00115 0.42506 2.98013
129 2GCG NDP 0.001803 0.42347 2.98013
130 2C7G ODP 0.007005 0.42292 2.98013
131 2C7G FAD 0.007277 0.42292 2.98013
132 2B4R AES 0.002019 0.42287 2.98013
133 4MDH NAD 0.0005578 0.42042 2.98013
134 3GMB FAD 0.005916 0.40861 2.98013
135 3SSO SAH 0.001406 0.40798 2.98013
136 3NYC FAD 0.01882 0.40168 2.98013
137 3NYC IAR 0.01882 0.40168 2.98013
138 1ZMD NAI 0.003523 0.40083 2.98013
139 1PJS NAD 0.001046 0.4008 2.98013
140 4XB2 HSE 0.0002748 0.46143 2.98507
141 4XB2 NDP 0.0001198 0.46023 2.98507
142 3CIF NAD 0.0003441 0.45285 3.06407
143 3CIF G3H 0.002257 0.42731 3.06407
144 5F5N NAD 0.00001323 0.5068 3.11419
145 1PN0 IPH 0.004143 0.42901 3.15789
146 1PN0 FAD 0.00396 0.42901 3.15789
147 4MIG G3F 0.01006 0.41212 3.24074
148 2HK9 NAP 0.0008719 0.43323 3.27273
149 3KO8 NAD 0.0000000003625 0.70477 3.31126
150 1KEW NAD 0.00000004679 0.64784 3.31126
151 1KEW TYD 0.00000009004 0.63401 3.31126
152 2Q1S NAI 0.0000002519 0.60606 3.31126
153 3GGO ENO 0.000314 0.47058 3.31126
154 3GGO NAI 0.000314 0.47058 3.31126
155 4E5N NAD 0.0009497 0.43775 3.31126
156 3ICT FAD 0.001926 0.43254 3.31126
157 3ICS FAD 0.002551 0.42849 3.31126
158 3L4S 3PG 0.001974 0.42727 3.31126
159 3L4S NAD 0.001837 0.42727 3.31126
160 3ICR FAD 0.002596 0.42706 3.31126
161 3T31 DCQ 0.006153 0.42689 3.31126
162 3T31 FAD 0.005808 0.42653 3.31126
163 3UCL NAP 0.009145 0.42569 3.31126
164 5G3U FDA 0.003013 0.42542 3.31126
165 3UCL FAD 0.008604 0.42506 3.31126
166 3UCL CYH 0.008604 0.42506 3.31126
167 2VVL FAD 0.004275 0.42204 3.31126
168 5KMS FAD 0.004201 0.41712 3.31126
169 1DJN ADP 0.001675 0.41463 3.31126
170 1Y8Q ATP 0.002156 0.41413 3.31126
171 1YKJ FAD 0.01492 0.41297 3.31126
172 1YKJ PHB 0.01492 0.41297 3.31126
173 3WBF API 0.004869 0.41095 3.31126
174 1MO9 FAD 0.02449 0.41085 3.31126
175 5G3U ITW 0.00946 0.40995 3.31126
176 3OJO NAD 0.002363 0.40993 3.31126
177 5KMS NAD 0.01576 0.40933 3.31126
178 3E1T FAD 0.0102 0.40766 3.31126
179 1MO9 KPC 0.03268 0.40546 3.31126
180 3WBF NAP 0.005638 0.40321 3.31126
181 4M73 M72 0.01029 0.40176 3.31126
182 5TTJ FAD 0.01151 0.40169 3.31126
183 5I39 FAD 0.01163 0.40051 3.31126
184 2PV7 NAD 0.0005908 0.4417 3.3557
185 5U5G NAP 0.001183 0.43095 3.38983
186 2EV9 SKM 0.001418 0.43193 3.42205
187 2EV9 NAP 0.001418 0.43193 3.42205
188 5FJN FAD 0.01111 0.40516 3.50877
189 5FJN BE2 0.01276 0.40516 3.50877
190 4HXY NDP 0.00000000003883 0.74222 3.64238
191 1BXK NAD 0.0000000004978 0.69133 3.64238
192 1LTH NAD 0.00001385 0.50187 3.64238
193 1J0X NAD 0.001115 0.44912 3.64238
194 3CGB FAD 0.0008665 0.44718 3.64238
195 3CGD FAD 0.004039 0.44659 3.64238
196 3CGD COA 0.004039 0.44659 3.64238
197 3CGD NAD 0.004039 0.44659 3.64238
198 4MO2 FDA 0.001359 0.43893 3.64238
199 5MZI FAD 0.003668 0.43836 3.64238
200 5MZI FYK 0.003805 0.43836 3.64238
201 4OPC FDA 0.01455 0.42792 3.64238
202 4OPC PGT 0.01672 0.42792 3.64238
203 2VVM FAD 0.003012 0.42754 3.64238
204 1GR0 NAD 0.002501 0.42424 3.64238
205 3KLJ FAD 0.00726 0.40372 3.64238
206 1GPE FAD 0.0143 0.403 3.64238
207 2DC1 NAD 0.0009706 0.43293 3.81356
208 2PWY SAH 0.001557 0.41644 3.87597
209 4E13 NAD 0.0002861 0.43671 3.88693
210 4EUE NAI 0.000000954 0.56322 3.97351
211 1E5Q NDP 0.0000101 0.51544 3.97351
212 3VPH OXM 0.0001265 0.47975 3.97351
213 1UWK NAD 0.0003718 0.47176 3.97351
214 1UWK URO 0.0003718 0.47176 3.97351
215 1SOW NAD 0.0002553 0.46276 3.97351
216 1LDN NAD 0.0002417 0.46225 3.97351
217 3VPH NAD 0.0003504 0.45849 3.97351
218 1T26 NAI 0.0009056 0.45197 3.97351
219 1DSS NAD 0.0005585 0.43937 3.97351
220 4MOP 2H5 0.00309 0.43709 3.97351
221 1P0F NAP 0.001113 0.43629 3.97351
222 3CTY FAD 0.00235 0.43613 3.97351
223 3TWO NDP 0.001935 0.43011 3.97351
224 1XHC FAD 0.002119 0.42964 3.97351
225 2RAB NAD 0.008994 0.4248 3.97351
226 1QO8 FAD 0.005739 0.41751 3.97351
227 2AQJ TRP 0.01074 0.41678 3.97351
228 2AQJ FAD 0.01112 0.41678 3.97351
229 4CNK FAD 0.009686 0.40389 3.97351
230 4AT0 FAD 0.01491 0.40383 3.97351
231 2RAB FAD 0.01412 0.4024 3.97351
232 3G89 SAM 0.007003 0.4196 4.01606
233 2VDV SAM 0.002213 0.44322 4.06504
234 1C3V NDP 0.00482 0.40865 4.08163
235 4ZRN NAD 0.0000000004782 0.70458 4.16667
236 4ZRN UPG 0.000000002337 0.70187 4.16667
237 1UXG NAD 0.0001095 0.48641 4.20712
238 4RQU NAD 0.0007289 0.43954 4.26667
239 2F1K NAP 0.00009362 0.4567 4.30108
240 5L4L NAP 0.0000002834 0.56945 4.30464
241 5L4L 7OX 0.00001618 0.52015 4.30464
242 2GZ3 NAP 0.001358 0.45018 4.30464
243 1SAY PYR 0.0008819 0.44314 4.30464
244 1BW9 NAD 0.0007173 0.44046 4.30464
245 2A92 NAI 0.0009921 0.43836 4.30464
246 1BXG NAD 0.0009786 0.43121 4.30464
247 1C1X NAD 0.0004324 0.43025 4.30464
248 2GV8 FAD 0.002308 0.42569 4.30464
249 1VQW FAD 0.002187 0.42542 4.30464
250 2GVC FAD 0.002268 0.42476 4.30464
251 5HSA FAS 0.005481 0.41741 4.30464
252 3B20 NAD 0.002015 0.41531 4.30464
253 5JJR SAH 0.004992 0.41521 4.30464
254 5BVA FAD 0.007401 0.41457 4.30464
255 1YB5 NAP 0.004656 0.41296 4.30464
256 4MP8 NAD 0.006115 0.41133 4.30464
257 3B1J NAD 0.001101 0.40294 4.30464
258 4BJZ P3A 0.0307 0.4027 4.30464
259 3A06 FOM 0.009403 0.40236 4.30464
260 3A06 NDP 0.008362 0.40231 4.30464
261 1D4O NAP 0.003024 0.41137 4.34783
262 1PNO NAP 0.003449 0.41332 4.44444
263 4K28 NAD 0.0001673 0.45206 4.46097
264 4RDH AMP 0.006847 0.41623 4.51389
265 2C5A GDC 0.00000001201 0.67657 4.63576
266 2C5A NAD 0.00000001201 0.67657 4.63576
267 3A4V NAD 0.000000004298 0.66901 4.63576
268 3A4V PYR 0.000000004298 0.66901 4.63576
269 1UDB NAD 0.00000005779 0.64381 4.63576
270 1UDB UFG 0.0005357 0.50195 4.63576
271 1EZ4 NAD 0.00002474 0.4958 4.63576
272 1H2B NAJ 0.0001344 0.47578 4.63576
273 3ABI NAD 0.00002587 0.45787 4.63576
274 1LLU NAD 0.0005107 0.45304 4.63576
275 2Y6Q I7T 0.001575 0.44554 4.63576
276 2Y6Q FAD 0.0006653 0.44554 4.63576
277 1X87 NAD 0.0003447 0.44185 4.63576
278 1NVM NAD 0.0009432 0.44061 4.63576
279 3H8V ATP 0.0001763 0.43369 4.63576
280 4TXI FAD 0.001513 0.43077 4.63576
281 2BRY FAD 0.002008 0.42696 4.63576
282 1V59 FAD 0.004519 0.42476 4.63576
283 4D3F NAP 0.0008114 0.42399 4.63576
284 5CAE SIN 0.002579 0.42245 4.63576
285 1YY5 FAD 0.004912 0.42228 4.63576
286 1RSG FAD 0.004528 0.42194 4.63576
287 5CAE COA 0.001532 0.42007 4.63576
288 5JCM FAD 0.01643 0.41169 4.63576
289 5JCM ISD 0.01695 0.41169 4.63576
290 5JCM NAD 0.01695 0.41169 4.63576
291 1TDF NAP 0.02028 0.411 4.63576
292 3WQQ IB3 0.007767 0.41092 4.63576
293 4PNE SAH 0.003009 0.40684 4.63576
294 3I6I NDP 0.0001162 0.40199 4.63576
295 4D79 ATP 0.001491 0.40233 4.71014
296 1PL6 572 0.0004954 0.45084 4.77528
297 1PL6 NAD 0.0001507 0.44646 4.77528
298 5CUQ NSC 0.008045 0.40068 4.86891
299 2Q1W NAD 0.00000006747 0.61084 4.96689
300 1D1T NAD 0.0003408 0.45757 4.96689
301 4RPL 3UC 0.003735 0.44275 4.96689
302 4RPL FAD 0.004399 0.43758 4.96689
303 1DJL NAP 0.002845 0.42067 4.96689
304 2Z3Y F2N 0.006201 0.41699 4.96689
305 3GFB NAD 0.0008091 0.4162 4.96689
306 4K5S FAD 0.005775 0.40786 4.96689
307 4K5S PM0 0.01258 0.40786 4.96689
308 3W9F I3P 0.009894 0.43862 5
309 2V6G NAP 0.00000002153 0.62915 5.29801
310 1RPN NDP 0.0000003151 0.49019 5.29801
311 1HYH NAD 0.0003212 0.45716 5.29801
312 2VHW NAI 0.0006748 0.45055 5.29801
313 5BR7 FLC 0.00355 0.44041 5.29801
314 5BR7 FAD 0.00355 0.44041 5.29801
315 4ZCC NAI 0.003328 0.43485 5.29801
316 4ZCC FAD 0.003328 0.43485 5.29801
317 5MW4 5JU 0.004601 0.41968 5.29801
318 5JE8 NAD 0.001661 0.41415 5.29801
319 3LST SAH 0.009879 0.41253 5.29801
320 2GAG NAD 0.005938 0.41187 5.29801
321 1Q0H NDP 0.01142 0.40891 5.29801
322 1Q0H FOM 0.01047 0.40891 5.29801
323 1N4W FAD 0.01235 0.40406 5.29801
324 2GAG FAD 0.01489 0.40224 5.29801
325 2GAG FOA 0.015 0.4021 5.29801
326 4GUS FAD 0.01448 0.40193 5.29801
327 4GUT FAD 0.01664 0.40095 5.29801
328 4FWE FAD 0.01468 0.40081 5.29801
329 4HSU FAD 0.01576 0.40033 5.29801
330 4CJX NAP 0.00263 0.41228 5.32915
331 1JNR FAD 0.01005 0.42669 5.33333
332 2JL1 NAP 0.0002225 0.44441 5.57491
333 9LDB NAD 0.0000163 0.51052 5.62914
334 9LDT NAD 0.00001896 0.50781 5.62914
335 1GUZ NAD 0.00009306 0.47605 5.62914
336 4PLG NAI 0.0004326 0.45992 5.62914
337 5JY6 NAD 0.001484 0.44939 5.62914
338 3NJ4 AFX 0.008761 0.44452 5.62914
339 3NJ4 NAD 0.008955 0.44406 5.62914
340 3HAD NAD 0.002363 0.43967 5.62914
341 1LDM NAD 0.0001464 0.43247 5.62914
342 3OND ADN 0.003944 0.42909 5.62914
343 3OND NAD 0.003944 0.42909 5.62914
344 1V8B NAD 0.002478 0.42678 5.62914
345 1GET NAP 0.01472 0.41625 5.62914
346 1GET FAD 0.01487 0.41488 5.62914
347 1G55 SAH 0.005171 0.41113 5.62914
348 4PLG OXM 0.03973 0.40147 5.62914
349 4TM3 FAD 0.03262 0.4004 5.62914
350 3MJE NDP 0.0000000000994 0.72269 5.96026
351 2HJR APR 0.00007122 0.4777 5.96026
352 5UAV NDP 0.0002992 0.4654 5.96026
353 5UAV TFB 0.0002992 0.4654 5.96026
354 4RSL FAD 0.0005855 0.45314 5.96026
355 1V6A TRE 0.003745 0.45216 5.96026
356 1DLJ UGA 0.00249 0.43954 5.96026
357 1DLJ NAI 0.00249 0.43954 5.96026
358 5A04 BGC 0.01375 0.41395 5.96026
359 5A04 NDP 0.01157 0.41395 5.96026
360 5ULP KB1 0.001114 0.42562 5.97015
361 3RFV NAI 0.0000001762 0.58497 5.99251
362 3RFV 15L 0.00002035 0.49923 5.99251
363 2DT5 NAD 0.0006973 0.41335 6.16114
364 4J4H 1J1 0.004438 0.42598 6.17761
365 4J4H NAI 0.004438 0.42598 6.17761
366 4JK3 NAD 0.001434 0.42449 6.17761
367 5JCA NDP 0.00617 0.42962 6.29139
368 5JCA FAD 0.003 0.42962 6.29139
369 3KB6 NAD 0.001515 0.42507 6.29139
370 2GSD NAD 0.003728 0.41817 6.29139
371 2Q7V FAD 0.005739 0.41656 6.29139
372 4YSX FAD 0.001119 0.44588 6.38298
373 4ZGS NAD 0.0001391 0.46178 6.62252
374 5JWC FAD 0.000458 0.45634 6.62252
375 1LVL NAD 0.001945 0.42591 6.62252
376 3ZNN FAD 0.007596 0.42281 6.62252
377 3ZNN 4WL 0.007596 0.42281 6.62252
378 3UOY NAP 0.01236 0.41913 6.62252
379 3UOY FAD 0.01236 0.41913 6.62252
380 1O94 ADP 0.001742 0.41784 6.62252
381 1NM5 NAP 0.009909 0.41399 6.62252
382 1NM5 NAD 0.01031 0.41399 6.62252
383 4REP FAD 0.008453 0.40741 6.62252
384 2OOR TXP 0.005339 0.4028 6.62252
385 3BAZ NAP 0.0001062 0.45984 6.95364
386 2NAD NAD 0.004211 0.41594 6.95364
387 2NU8 COA 0.003283 0.40993 6.95364
388 3RJ5 NAD 0.00000006127 0.62413 7.08661
389 1LSS NAD 0.000344 0.43442 7.14286
390 4NEC SAH 0.0123 0.40445 7.19697
391 3B1F NAD 0.0001086 0.45716 7.24138
392 1Y1P NMN AMP PO4 0.0000006185 0.54938 7.28477
393 2DFV NAD 0.00048 0.44536 7.28477
394 2O4C NAD 0.002497 0.42044 7.28477
395 5U8U FAD 0.01133 0.41964 7.28477
396 2QZZ NAP 0.003937 0.41942 7.28477
397 2QZZ EMF 0.004175 0.41942 7.28477
398 4EMI NAD 0.01652 0.40971 7.28477
399 4EMI FAD 0.007065 0.40971 7.28477
400 3C1O NAP 0.002917 0.40887 7.28477
401 4FZV SAM 0.001656 0.40562 7.28477
402 1REO FAD 0.01053 0.40333 7.28477
403 3A4T SFG 0.002836 0.4032 7.29927
404 5L95 AMP 0.0002508 0.43349 7.5
405 2V3B FAD 0.001622 0.43569 7.55208
406 2V3A FAD 0.0022 0.43122 7.55208
407 2JHF NAD 0.005849 0.45739 7.61589
408 4EIP K2C 0.005254 0.42279 7.61589
409 4EIP FAD 0.005254 0.42279 7.61589
410 3LAD FAD 0.01101 0.40533 7.61589
411 2DKH FAD 0.0006211 0.44816 7.94702
412 2DKH 3HB 0.00118 0.44382 7.94702
413 1DXY NAD 0.0005645 0.44087 7.94702
414 1NYT NAP 0.001907 0.41154 7.94702
415 3IHG FAD 0.003388 0.41227 8.2243
416 1CER NAD 0.0002968 0.43748 8.27815
417 3QV1 NAD 0.0006256 0.43739 8.27815
418 1MV8 NAD 0.0007161 0.43669 8.27815
419 1GAD NAD 0.0008265 0.43417 8.27815
420 2VYN NAD 0.0016 0.42558 8.27815
421 4YRY NAD 0.009733 0.41584 8.27815
422 1MUU NAD 0.002202 0.41539 8.27815
423 4YRY FAD 0.006579 0.41496 8.27815
424 5DN9 NAD 0.001056 0.43858 8.60927
425 2XVE FAD 0.01004 0.41944 8.60927
426 3GD4 NAD 0.02913 0.40532 8.60927
427 3GD4 FAD 0.01934 0.40532 8.60927
428 4BV6 FAD 0.01384 0.40013 8.60927
429 1E6E FAD 0.001174 0.44043 8.69565
430 1E1M FAD 0.002856 0.4394 8.69565
431 4QTU SAM 0.007728 0.40046 8.88889
432 2YY7 NAD 0.00000001107 0.64106 8.9404
433 1B8U OAA 0.001706 0.42861 8.9404
434 1B8U NAD 0.000608 0.42352 8.9404
435 1F8F NAD 0.004197 0.4041 8.9404
436 1Z45 NAD 0.00000000827 0.57909 9.27152
437 5KKA 6V0 0.00006574 0.48715 9.27152
438 4W6Z 8ID 0.002638 0.42563 9.27152
439 1H82 GZZ 0.01059 0.41905 9.60265
440 1H82 FAD 0.008888 0.41905 9.60265
441 2PK3 A2R 0.0000007216 0.52708 10.2649
442 3S5W FAD 0.005257 0.40709 10.2649
443 2Q46 NAP 0.000000112 0.59527 10.2767
444 3AD8 NAD 0.004063 0.41543 10.3448
445 3AD8 PYC 0.02477 0.40476 10.3448
446 3AD8 FAD 0.02477 0.40476 10.3448
447 3HVJ 705 0.009855 0.40255 10.4072
448 1RM4 NDP 0.002063 0.41961 10.596
449 1HDG NAD 0.001491 0.41569 10.596
450 1VL0 NAI 0.00000001155 0.62783 10.6164
451 1SC6 NAD 0.0009659 0.43884 10.9272
452 1EK6 NAI 0.00000008621 0.63882 11.5894
453 1EK6 UPG 0.0000003804 0.61278 11.5894
454 5IN4 6CK 0.000007544 0.60662 11.5894
455 5IN4 NAP 0.000007693 0.60662 11.5894
456 5IN4 GDP 0.000007643 0.60549 11.5894
457 5GT9 NAP 0.000000005709 0.65291 12.2517
458 3G2O SAM 0.00299 0.42506 12.5828
459 5L4S NAP 0.00000003896 0.63063 12.9139
460 5L4S 6KX 0.00000003896 0.63063 12.9139
461 3LZW NAP 0.006705 0.42594 13.5762
462 3LZW FAD 0.00293 0.42594 13.5762
463 1N5D NDP 0.00000001589 0.63459 13.8889
464 4K26 NDP 0.000000001883 0.67276 14.1304
465 4K26 SFF 0.000000007156 0.66551 14.1304
466 4J7U YTZ 0.0000001077 0.62039 14.5695
467 4J7U NAP 0.0000001077 0.62039 14.5695
468 1OAA OAA 0.0000000149 0.65892 14.9007
469 3O26 NDP 0.000000005145 0.65238 14.9007
470 5L53 NAP 0.00000001733 0.60283 14.9007
471 1WVG APR 0.0000009206 0.55133 14.9007
472 5J60 FAD 0.008221 0.4089 14.9007
473 2DBZ NAP 0.0003474 0.45269 14.9701
474 2FR1 NDP 0.0000000001061 0.72685 15.2318
475 3RNM FAD 0.01387 0.40188 15.5172
476 3ORF NAD 0.000001208 0.5531 15.5378
477 1Z6Z NAP 0.000000156 0.59159 15.5629
478 1V35 NAI 0.0000003009 0.5997 15.894
479 4OHU NAD 0.000000541 0.606 15.917
480 4OHU 2TK 0.000000541 0.606 15.917
481 1RKX NAD 0.000000002491 0.58973 16.2252
482 3WXB NDP 0.000000002526 0.5885 16.8874
483 2BKA NDP 0.000006705 0.5227 16.9421
484 2HMT NAI 0.000447 0.43376 17.3611
485 1HDO NAP 0.000001137 0.56371 17.4757
486 3OJF IMJ 0.00000014 0.61391 18.677
487 3OJF NDP 0.0000001546 0.60175 18.677
488 1WMA AB3 0.0000001585 0.61472 19.2029
489 1WMA NDP 0.0000001585 0.61472 19.2029
490 2DKN NAI 0.0000000004848 0.6918 19.2157
491 1I0Z NAI 0.00007508 0.48154 19.5364
492 1FK8 NAD 0.00000001358 0.61154 19.8444
493 2CDC XYP 0.004353 0.43844 20.1987
494 2CDC XYS 0.006793 0.4297 20.1987
495 2CDC NAP 0.006793 0.4297 20.1987
496 2F5Z FAD 0.0141 0.40156 20.3125
497 1D7O NAD 0.00000008584 0.4983 22.2222
498 3OIG NAD 0.000000127 0.59076 22.5564
499 1GZ6 NAI 0.00000004002 0.54848 23.1975
500 3CH6 NAP 0.000000006406 0.69791 24.4755
501 3CH6 311 0.000000006406 0.69791 24.4755
502 1ZBQ NAD 0.00000001229 0.64145 24.8344
503 4J1Q NDP 0.0000000008899 0.67832 25.1656
504 1XSE NDP 0.0000000004861 0.71715 25.4237
505 2AG5 NAD 0.000000001019 0.68123 26.0163
506 2BD0 NAP 0.0000000000137 0.76364 26.2295
507 1A27 NAP 0.00000002827 0.62202 26.4901
508 3HB5 NAP 0.0000000003261 0.50233 26.4901
509 4ITU NAI 0.0000000001415 0.60886 27.1375
510 4ITU 1HS 0.0000000004098 0.52789 27.1375
511 2GDZ NAD 0.00000000001402 0.7576 27.4834
512 4YAG NAI 0.0000000002361 0.73447 27.8146
513 4O1M NAD 0.0000001437 0.59305 27.8146
514 1NNU NAD 0.01466 0.44824 28.3333
515 1NNU TCT 0.0148 0.44802 28.3333
516 4EMJ FAD 0.007901 0.40866 28.972
517 1JA9 NDP 0.0000000004068 0.7027 29.927
518 4TQG NDP 0.00000000002157 0.74699 30.1325
519 1XG5 NAP 0.0000000006538 0.6097 30.466
520 1SNY NAP 0.0000002066 0.57984 31.7881
521 4OSP NAP 0.0000000001825 0.70912 32.1192
522 4KWI NAP 0.0000000002803 0.54539 32.4503
523 4KWI 1TJ 0.000000000312 0.53763 32.4503
524 3TN7 NJP 0.0000000004685 0.69766 33.0739
525 3AFN NAP 0.0000000003222 0.70935 33.1126
526 4D42 NAP 0.00000009665 0.63266 33.3333
527 4D42 W0I 0.00000009665 0.63266 33.3333
528 1MXH DHF 0.00000000377 0.67541 34.4371
529 1MXH NAP 0.000000005338 0.66901 34.4371
530 1BDB NAD 0.000000001058 0.58471 35.0181
531 1PR9 NAP 0.0000000002276 0.71562 35.0993
532 3D3W NAP 0.0000000003948 0.70568 35.0993
533 3H4V DVP 0.000000003538 0.68403 35.0993
534 3H4V NAP 0.00000000456 0.67752 35.0993
535 3U4C NDP 0.000000006279 0.64637 35.0993
536 3A28 NAD 0.0000000001095 0.64386 35.0993
537 3VZS NAP 0.0000000005961 0.72089 35.4305
538 3VZS CAA 0.000000002388 0.72089 35.4305
539 3GEG NAD 0.0000000001092 0.71535 35.4305
540 3ZV6 NAD 0.0000000008132 0.70955 35.5872
541 3ZV6 4HB 0.0000000008996 0.70955 35.5872
542 2PD4 DCN 0.0000009993 0.56781 35.6364
543 2PD4 NAD 0.000001146 0.56531 35.6364
544 1ZEM NAD 0.00000000003972 0.73012 35.7616
545 2Q2V NAD 0.0000000001737 0.7205 35.7616
546 1G0N PHH 0.0000000004654 0.71992 36.4238
547 1G0N NDP 0.0000000003421 0.71954 36.4238
548 3ICC NAP 0.0000000001653 0.71888 36.4238
549 4FN4 NAD 0.00000000004134 0.73833 36.755
550 3SJU NDP 0.000000000004084 0.67971 36.755
551 4NBW NAD 0.00000000004771 0.72996 37.0861
552 2VZ0 D64 0.00000004425 0.67402 37.0861
553 2VZ0 NAP 0.00000004425 0.67402 37.0861
554 1E3W NAD 0.00000000001654 0.67107 37.1647
555 1E6W NAD 0.00000000003259 0.66053 37.3077
556 3RKR NAP 0.000007092 0.44842 37.4046
557 2DTX BMA 0.000000000005623 0.79744 37.4172
558 4NBU NAI 0.000000000004939 0.67775 37.4172
559 1GEG NAD 0.00000000004 0.6589 37.5
560 1H5Q NAP 0.000000000002097 0.79445 37.7358
561 4CM9 NAP 0.000000001196 0.67838 37.7483
562 3BMO NAP 0.000000001033 0.67837 37.7483
563 5JDI NAP 0.000000001238 0.67516 37.7483
564 4CLR NAP 0.000000001244 0.67508 37.7483
565 2WD7 NAP 0.000000001348 0.67366 37.7483
566 4CM8 NAP 0.000000001405 0.67293 37.7483
567 3JQ8 NAP 0.000000001744 0.67166 37.7483
568 5K6A NAP 0.000000001754 0.67155 37.7483
569 5JDC NAP 0.000000001553 0.67114 37.7483
570 4CLO NAP 0.000000001342 0.67106 37.7483
571 3JQ9 NAP 0.00000000242 0.66582 37.7483
572 3BMN NAP 0.000000002763 0.66346 37.7483
573 3JQB NAP 0.000000002438 0.66053 37.7483
574 4CME NAP 0.000000003027 0.65931 37.7483
575 3JQ7 NAP 0.000000006011 0.6446 37.7483
576 4CM4 NAP 0.000000001056 0.62151 37.7483
577 3JQA NAP 0.000000002284 0.61949 37.7483
578 4CMI NAP 0.000000001568 0.61575 37.7483
579 3JQG NAP 0.000000002924 0.61568 37.7483
580 5JCJ NAP 0.000000001613 0.61536 37.7483
581 3BMQ NAP 0.000000001003 0.61206 37.7483
582 3JQF NAP 0.000000001755 0.60422 37.7483
583 2WYV NAD 0.0000001587 0.59129 37.7483
584 1U7T TDT 0.00000000005864 0.7584 37.931
585 1U7T NAD 0.0000000001241 0.71308 37.931
586 2CFC NAD 0.00000000005273 0.73114 38
587 2AE2 NAP 0.00000000001939 0.7768 38.0769
588 2AE2 PTO 0.00000000001939 0.7768 38.0769
589 4NBT NAD 0.00000000005871 0.72924 38.0795
590 2RH4 EMO 0.000000000006602 0.55383 38.0795
591 2EWM NAD 0.00000000001137 0.7642 38.4106
592 2JAH NDP 0.00000000004028 0.74157 38.4615
593 2BGM NAJ 0.000000000141 0.70787 38.4892
594 1EDO NAP 0.00000000003185 0.74848 38.5246
595 1UZN NAP 0.00000008227 0.53117 38.8664
596 3SJ7 NDP 0.00000000001077 0.75931 38.8889
597 1QG6 TCL 0.0000003714 0.5988 39.404
598 1QG6 NAD 0.0000003714 0.5988 39.404
599 2JAP NDP 0.00000000002311 0.65498 39.6761
600 4CQM NAP 0.00000000001058 0.7626 39.7351
601 3V1U NAD 0.00000000001518 0.74374 39.7351
602 5CG1 NAD BBN 0.000000608 0.60927 39.7351
603 3QWI CUE 0.0000000005917 0.71545 40.3704
604 3QWI NAP 0.0000000002001 0.71545 40.3704
605 2WSB NAD 0.00000000003181 0.76763 40.5512
606 4Q9N NAI 0.00000004032 0.61793 40.604
607 2B4Q NAP 0.0000000004253 0.69679 40.942
608 5T2U NAP 0.00000000000888 0.77416 41.129
609 1AE1 NAP 0.00000000009693 0.73103 41.3919
610 1XKQ NDP 0.0000000007856 0.69326 41.7219
611 3OID NDP 0.0000000000195 0.75997 41.8605
612 5ITV NAI 0.000000000002571 0.79081 41.9608
613 1XHL NDP 0.0000000008599 0.68925 42.0875
614 1X1T NAD 0.0000000002413 0.71457 42.3077
615 4QED NAP 0.00000000007162 0.72853 42.3387
616 4O0L NDP 0.0000000002521 0.62259 42.9091
617 3O03 NAP 0.00000000002242 0.74017 42.9553
618 1O5I NAD 0.0000003935 0.5373 42.9719
619 3AY6 NAI 0.00000000006805 0.747 43.1227
620 3AY6 BGC 0.0000000003121 0.74171 43.1227
621 5THQ NDP 0.0000000000159 0.75535 43.3824
622 1UAY ADN 0.0000004149 0.49897 44.2149
623 1ZK4 NAP 0.0000000001779 0.72716 44.2231
624 1ZK4 AC0 0.0001483 0.54718 44.2231
625 5EPO NAP 0.0000001111 0.59764 44.2748
626 2ZAT NAP 0.0000000002266 0.70801 45
627 1NFQ NAI 0.00000000003266 0.74803 45.3846
628 1YXM ADE 0.000000001521 0.44766 45.6954
629 1GEE NAD 0.00000000001158 0.67567 46.3602
630 1IY8 NAD 0.00000000001095 0.76488 46.8165
631 3NUG NAD 0.00000000001113 0.76458 46.9636
632 4ZA2 NAD 0.000000002602 0.66199 48.2213
633 1VL8 NAP 0.000000000003072 0.66157 49.0637
Pocket No.: 2; Query (leader) PDB : 1W73; 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: 1w73.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1W73; Ligand: NAP; 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: 1w73.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1W73; Ligand: NAP; 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: 1w73.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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