Receptor
PDB id Resolution Class Description Source Keywords
1W8D 2.2 Å EC: 1.3.1.34 BINARY STRUCTURE OF HUMAN DECR. 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:1329;
D:1329;
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
1W8D 2.2 Å EC: 1.3.1.34 BINARY STRUCTURE OF HUMAN DECR. 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 1W8D - 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 1W8D - 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 1W8D - 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 : 1W8D; Ligand: NAP; Similar sites found: 540
This union binding pocket(no: 1) in the query (biounit: 1w8d.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2UYQ SAM 0.001337 0.48011 None
2 1UP7 NAD 0.002787 0.41127 0.993378
3 1I2B NAD 0.0000001692 0.62715 1.3245
4 3WMX NAD 0.00000009572 0.56965 1.3245
5 1I2B UPG 0.0009039 0.49365 1.3245
6 1I2B USQ 0.0009039 0.49365 1.3245
7 4GKV NAD 0.00005773 0.49255 1.3245
8 2EXX NAP 0.0001327 0.47747 1.3245
9 1R6D DAU 0.00000003297 0.65589 1.65563
10 1R6D NAD 0.00000003537 0.65589 1.65563
11 1E7S NAP 0.00000006794 0.61071 1.65563
12 2FZW NAD 0.001167 0.44827 1.65563
13 1O6Z NAD 0.0004309 0.44213 1.65563
14 1KOL NAD 0.001916 0.43148 1.65563
15 5JAQ NAI 0.00005142 0.41476 1.65563
16 1CF2 NAP 0.002633 0.41381 1.65563
17 1X7D ORN 0.008988 0.40424 1.65563
18 1X7D NAD 0.005972 0.40219 1.65563
19 2G5C NAD 0.0005074 0.4475 1.77936
20 3A27 SAM 0.004772 0.41608 1.83824
21 1N7G NDP 0.0000007776 0.61142 1.98676
22 2C29 NAP 0.0000002534 0.60594 1.98676
23 1N7G GDR 0.000001545 0.5858 1.98676
24 2C29 DQH 0.0000008615 0.58307 1.98676
25 4PVD NDP 0.0000002103 0.57954 1.98676
26 3WLE NAD 0.0005197 0.45531 1.98676
27 4DSG FAD 0.004945 0.43462 1.98676
28 4DSG UDP 0.006761 0.42716 1.98676
29 3L9W AMP 0.001832 0.42598 1.98676
30 2XVF FAD 0.003004 0.42438 1.98676
31 4D04 NAP 0.00964 0.42155 1.98676
32 1OC2 NAD 0.0000001403 0.42096 1.98676
33 1OC2 TDX 0.0000001403 0.42096 1.98676
34 1H6C NDP 0.007492 0.40759 2.07852
35 1H6C SIN 0.01029 0.40375 2.07852
36 1NVT NAP 0.001274 0.42329 2.09059
37 1RP0 AHZ 0.008038 0.40069 2.11268
38 3WV8 ATP 0.0008932 0.44415 2.29358
39 1ORR NAD 0.0000000007452 0.69421 2.31788
40 4U7W NDP 0.000000004549 0.60788 2.31788
41 4J36 1HR 0.0006298 0.4598 2.31788
42 4J36 FAD 0.0004339 0.45463 2.31788
43 2CDU FAD 0.000741 0.44884 2.31788
44 1U3U BNF 0.001157 0.4474 2.31788
45 1U1I NAD 0.0006989 0.44735 2.31788
46 2E5V FAD 0.00162 0.44213 2.31788
47 5H81 NAP 0.001016 0.43417 2.31788
48 5LD5 NAD 0.001203 0.42764 2.31788
49 5M67 NAD 0.004704 0.4266 2.31788
50 5M67 ADE 0.004708 0.42658 2.31788
51 5M67 3D1 0.005053 0.42524 2.31788
52 2BH9 NAP 0.008504 0.41188 2.31788
53 2CVQ NDP 0.0008254 0.41154 2.31788
54 1OMO NAD 0.002613 0.41079 2.31788
55 2CDU ADP 0.0008145 0.40504 2.31788
56 4IDC 1XX 0.007186 0.40391 2.31788
57 4IDC NDP 0.007186 0.40391 2.31788
58 1U8X NAD 0.002479 0.40259 2.31788
59 2EG5 SAH 0.01967 0.40186 2.31788
60 3MB5 SAM 0.0008539 0.4337 2.35294
61 1WP4 NDP 0.0005906 0.4216 2.42215
62 2OBF F83 0.006581 0.41495 2.42215
63 2RGJ FAD 0.004978 0.41055 2.48756
64 5GVR LMR 0.008093 0.43531 2.5641
65 1SB8 UD2 0.000000009736 0.6792 2.64901
66 1SB8 NAD 0.00000001403 0.66638 2.64901
67 4PIV NDP 0.00000001625 0.63419 2.64901
68 2PZM UDP 0.0000002214 0.60847 2.64901
69 2PZM NAD 0.0000002214 0.60847 2.64901
70 1EQ2 NAP 0.00000009258 0.60089 2.64901
71 4R1S NAP 0.00000001774 0.5954 2.64901
72 3LU1 NAD 0.00000000387 0.5903 2.64901
73 2X6T NAP 0.0000001455 0.53639 2.64901
74 1GV0 NAD 0.00006168 0.48505 2.64901
75 1WDK NAD 0.0001834 0.45267 2.64901
76 3CMC NAD 0.002677 0.44866 2.64901
77 1R37 NAD 0.0009074 0.44262 2.64901
78 5UAO FAD 0.00174 0.43554 2.64901
79 1D4D FAD 0.003145 0.42971 2.64901
80 3NTD FAD 0.002502 0.42884 2.64901
81 4C3Y FAD 0.004836 0.41974 2.64901
82 3NT6 FAD 0.004117 0.41967 2.64901
83 4C3Y ANB 0.007113 0.41706 2.64901
84 2WPF FAD 0.02673 0.41452 2.64901
85 3H9E NAD 0.001461 0.41193 2.64901
86 1J5P NAD 0.001067 0.41132 2.64901
87 1HYE NAP 0.003191 0.40363 2.64901
88 4USQ FAD 0.009209 0.40056 2.64901
89 1N1G BCP 0.01 0.40016 2.64901
90 1I8T FAD 0.001384 0.44086 2.7248
91 1KYQ NAD 0.001379 0.40104 2.91971
92 5T9E NAP 0.003212 0.41031 2.95203
93 4GLL NAD 0.000000003533 0.66385 2.98013
94 5MSO NAP 0.00000001234 0.62934 2.98013
95 1GY8 NAD 0.00000003622 0.61985 2.98013
96 1A5Z NAD 0.0001438 0.46947 2.98013
97 5MDH NAD 0.0003876 0.44914 2.98013
98 1H9A NAP 0.0006433 0.44886 2.98013
99 4L8V NAP 0.0005717 0.44537 2.98013
100 2B4R NAD 0.0007374 0.44228 2.98013
101 3V1Y NAD 0.0003596 0.43458 2.98013
102 1YJQ NAP 0.001696 0.43002 2.98013
103 1J49 NAD 0.001258 0.42985 2.98013
104 5MPT SAH 0.002802 0.42631 2.98013
105 4MDH NAD 0.0004603 0.42354 2.98013
106 2C7G ODP 0.007421 0.42181 2.98013
107 2C7G FAD 0.007708 0.42181 2.98013
108 1EBF NAD 0.001546 0.41992 2.98013
109 2B4R AES 0.002824 0.41689 2.98013
110 3GMB FAD 0.005299 0.4106 2.98013
111 3SSO SAH 0.001492 0.40715 2.98013
112 1PJS NAD 0.0008014 0.40689 2.98013
113 1ZMD NAI 0.00329 0.40202 2.98013
114 3LKZ SFG 0.001897 0.40076 2.98013
115 4XB2 NDP 0.0001769 0.45347 2.98507
116 4XB2 HSE 0.0004281 0.45347 2.98507
117 3CIF NAD 0.0004751 0.44713 3.06407
118 3CIF G3H 0.003112 0.42146 3.06407
119 5F5N NAD 0.0000157 0.48545 3.11419
120 4MIG G3F 0.008552 0.41522 3.24074
121 2HK9 NAP 0.0009459 0.4318 3.27273
122 3KO8 NAD 0.0000000005075 0.69873 3.31126
123 1KEW NAD 0.00000007163 0.63972 3.31126
124 1KEW TYD 0.0000001378 0.62591 3.31126
125 2Q1S NAI 0.0000002889 0.6035 3.31126
126 3GGO NAI 0.0003411 0.46905 3.31126
127 3GGO ENO 0.0003411 0.46905 3.31126
128 3ICT FAD 0.001376 0.4387 3.31126
129 3ICS FAD 0.00196 0.43335 3.31126
130 3ICR FAD 0.001873 0.43305 3.31126
131 4E5N NAD 0.001272 0.43252 3.31126
132 3UCL NAP 0.007366 0.42997 3.31126
133 3UCL FAD 0.006927 0.42932 3.31126
134 3UCL CYH 0.006927 0.42932 3.31126
135 3T31 DCQ 0.005822 0.42796 3.31126
136 3T31 FAD 0.005393 0.42796 3.31126
137 3L4S NAD 0.002229 0.4238 3.31126
138 3L4S 3PG 0.002393 0.4238 3.31126
139 1DJN ADP 0.001651 0.41487 3.31126
140 1Y8Q ATP 0.002222 0.41361 3.31126
141 1YKJ FAD 0.01597 0.41164 3.31126
142 3OJO NAD 0.002559 0.40826 3.31126
143 1MO9 KPC 0.02882 0.40803 3.31126
144 2PV7 NAD 0.0005685 0.42317 3.3557
145 5U5G NAP 0.0009701 0.40802 3.38983
146 2EV9 NAP 0.001311 0.43335 3.42205
147 5FJN BE2 0.01058 0.4087 3.50877
148 5FJN FAD 0.009193 0.4087 3.50877
149 4HXY NDP 0.00000000004649 0.739 3.64238
150 1BXK NAD 0.0000000006912 0.68551 3.64238
151 1LTH NAD 0.00001227 0.50397 3.64238
152 3CGD FAD 0.003053 0.4522 3.64238
153 3CGD COA 0.003053 0.4522 3.64238
154 3CGD NAD 0.003053 0.4522 3.64238
155 1J0X NAD 0.001205 0.44766 3.64238
156 2VVM FAD 0.002747 0.42925 3.64238
157 1GR0 NAD 0.002612 0.42345 3.64238
158 3KLJ FAD 0.005918 0.40742 3.64238
159 4KOA NDP 0.009096 0.40701 3.64238
160 1P77 ATR 0.01247 0.42426 3.67647
161 2DC1 NAD 0.0008792 0.43468 3.81356
162 2PWY SAH 0.001251 0.42017 3.87597
163 4E13 NAD 0.0002805 0.43777 3.88693
164 4EUE NAI 0.000001747 0.55235 3.97351
165 1E5Q NDP 0.00001406 0.47314 3.97351
166 1SOW NAD 0.0001895 0.46811 3.97351
167 1LDN NAD 0.0002216 0.46381 3.97351
168 1T26 NAI 0.0007025 0.4567 3.97351
169 3CTY FAD 0.002098 0.43826 3.97351
170 1P0F NAP 0.00101 0.43804 3.97351
171 1DSS NAD 0.0007486 0.43425 3.97351
172 1XHC FAD 0.001971 0.43096 3.97351
173 1QO8 FAD 0.004354 0.42267 3.97351
174 2RAB NAD 0.01009 0.42254 3.97351
175 2AQJ TRP 0.01012 0.41795 3.97351
176 2AQJ FAD 0.01048 0.41795 3.97351
177 5E8J SAH 0.007928 0.41705 3.97351
178 3VPH OXM 0.0001081 0.41364 3.97351
179 2RAB FAD 0.00954 0.40979 3.97351
180 4CNK FAD 0.007824 0.40783 3.97351
181 3VPH NAD 0.0003032 0.40733 3.97351
182 4AT0 FAD 0.01652 0.40188 3.97351
183 3G89 SAM 0.006414 0.4214 4.01606
184 2VDV SAM 0.002366 0.44185 4.06504
185 4ZRN NAD 0.0000000008159 0.57738 4.16667
186 4ZRN UPG 0.000000003843 0.47411 4.16667
187 1UXG NAD 0.0001063 0.48696 4.20712
188 4RQU NAD 0.0005333 0.44508 4.26667
189 2F1K NAP 0.0001014 0.45548 4.30108
190 5L4L NAP 0.0000002596 0.57098 4.30464
191 5L4L 7OX 0.00001445 0.52222 4.30464
192 2GZ3 NAP 0.001425 0.44928 4.30464
193 2A92 NAI 0.000716 0.44422 4.30464
194 1SAY PYR 0.0008355 0.44412 4.30464
195 1BW9 NAD 0.0008212 0.43802 4.30464
196 5JJR SAH 0.002511 0.42841 4.30464
197 2GVC FAD 0.001918 0.42779 4.30464
198 1C1X NAD 0.0005205 0.42734 4.30464
199 1BXG NAD 0.001246 0.42697 4.30464
200 1YB5 NAP 0.004953 0.41183 4.30464
201 4MP8 NAD 0.006324 0.41071 4.30464
202 3B20 NAD 0.002978 0.40851 4.30464
203 5AHO TLA 0.02769 0.40079 4.30464
204 3A06 FOM 0.01068 0.40002 4.30464
205 1PNO NAP 0.003789 0.41164 4.44444
206 4K28 NAD 0.0001414 0.45506 4.46097
207 4RDH AMP 0.0057 0.41991 4.51389
208 3A4V PYR 0.000000005767 0.53872 4.63576
209 3A4V NAD 0.000000005767 0.53872 4.63576
210 1EZ4 NAD 0.00002414 0.47747 4.63576
211 3ABI NAD 0.00002084 0.46103 4.63576
212 2Y6Q I7T 0.001416 0.44756 4.63576
213 2Y6Q FAD 0.0005947 0.44756 4.63576
214 2C5A NAD 0.00000001526 0.44662 4.63576
215 2C5A GDC 0.00000001526 0.44662 4.63576
216 1X87 NAD 0.0003356 0.44227 4.63576
217 4D3F NAP 0.0006815 0.44138 4.63576
218 1UDB NAD 0.0000001066 0.43828 4.63576
219 3H8V ATP 0.000233 0.42962 4.63576
220 1V59 FAD 0.003573 0.42918 4.63576
221 2BRY FAD 0.001789 0.42906 4.63576
222 1YY5 FAD 0.004058 0.42587 4.63576
223 1RSG FAD 0.00401 0.42421 4.63576
224 1H2B NAJ 0.0001313 0.41732 4.63576
225 5CAE COA 0.002133 0.41432 4.63576
226 5JCM ISD 0.01793 0.41058 4.63576
227 5JCM FAD 0.01739 0.41058 4.63576
228 5JCM NAD 0.01793 0.41058 4.63576
229 1TDF NAP 0.02185 0.40951 4.63576
230 1LLU NAD 0.0002562 0.40689 4.63576
231 5CDH TLA 0.03105 0.40684 4.63576
232 4PNE SAH 0.002997 0.40454 4.63576
233 3I6I NDP 0.0001247 0.40094 4.63576
234 4N49 SAM 0.002707 0.40038 4.63576
235 4D79 ATP 0.001238 0.44198 4.71014
236 1PL6 572 0.0004095 0.45427 4.77528
237 1PL6 NAD 0.0001215 0.44969 4.77528
238 5CUQ NSC 0.004279 0.41206 4.86891
239 2Q1W NAD 0.00000006208 0.53649 4.96689
240 4RPL 3UC 0.003126 0.44626 4.96689
241 4RPL FAD 0.004058 0.43916 4.96689
242 2P41 SAH 0.002223 0.43075 4.96689
243 3GFB NAD 0.000629 0.41986 4.96689
244 1D1T NAD 0.0002694 0.41163 4.96689
245 3W9F I3P 0.01146 0.43486 5
246 2V6G NAP 0.00000003979 0.61816 5.29801
247 1RPN NDP 0.0000002623 0.49227 5.29801
248 2VHW NAI 0.0006085 0.45243 5.29801
249 1HYH NAD 0.0002982 0.41725 5.29801
250 2GAG NAD 0.004598 0.41656 5.29801
251 5JE8 NAD 0.001523 0.41544 5.29801
252 3LST SAH 0.008921 0.41462 5.29801
253 1BZL FAD 0.03199 0.41121 5.29801
254 2GAG FAD 0.0119 0.40649 5.29801
255 2GAG FOA 0.01196 0.40638 5.29801
256 4GUT FAD 0.01252 0.40634 5.29801
257 1N4W FAD 0.01173 0.40502 5.29801
258 4FWE FAD 0.01337 0.40257 5.29801
259 4CJX NAP 0.001847 0.41179 5.32915
260 1JNR FAD 0.00982 0.42715 5.33333
261 3EVG SAH 0.001247 0.40294 5.45455
262 2JL1 NAP 0.0001517 0.45063 5.57491
263 9LDT NAD 0.00001741 0.50934 5.62914
264 1GUZ NAD 0.00007671 0.47948 5.62914
265 4PLG NAI 0.0003264 0.46508 5.62914
266 9LDB NAD 0.0000151 0.45996 5.62914
267 3NJ4 AFX 0.008627 0.44484 5.62914
268 3NJ4 NAD 0.008743 0.44456 5.62914
269 1LDM NAD 0.0001305 0.43415 5.62914
270 1V8B NAD 0.002391 0.42743 5.62914
271 1G55 SAH 0.004069 0.41565 5.62914
272 1GET NAP 0.01566 0.41502 5.62914
273 1GET FAD 0.01576 0.41372 5.62914
274 4PLG OXM 0.03205 0.40586 5.62914
275 2QRK AMP 0.01063 0.40216 5.62914
276 4TM3 FAD 0.03326 0.40001 5.62914
277 4IF4 BEF 0.01149 0.42542 5.76923
278 3MJE NDP 0.00000000006383 0.73059 5.96026
279 2HJR APR 0.00006559 0.47915 5.96026
280 5UAV NDP 0.0003776 0.46115 5.96026
281 5UAV TFB 0.0003776 0.46115 5.96026
282 1V6A TRE 0.003223 0.4557 5.96026
283 5ULP KB1 0.0009562 0.42827 5.97015
284 3RFV NAI 0.0000001834 0.58427 5.99251
285 3RFV 15L 0.0000221 0.49778 5.99251
286 2DT5 NAD 0.000568 0.41654 6.16114
287 4J4H 1J1 0.004773 0.42461 6.17761
288 4J4H NAI 0.004773 0.42461 6.17761
289 4JK3 NAD 0.001497 0.42373 6.17761
290 3KB6 NAD 0.001268 0.42821 6.29139
291 2GSD NAD 0.003367 0.42002 6.29139
292 4ZGS NAD 0.0001316 0.46275 6.62252
293 3ZNN 4WL 0.006416 0.42608 6.62252
294 3ZNN FAD 0.006416 0.42608 6.62252
295 1LVL NAD 0.002208 0.42357 6.62252
296 3UOY NAP 0.01137 0.42078 6.62252
297 1O94 ADP 0.001731 0.41795 6.62252
298 1NM5 NAD 0.01141 0.41204 6.62252
299 1NM5 NAP 0.01119 0.41166 6.62252
300 2Q0L NAP 0.01367 0.40232 6.62252
301 3BAZ NAP 0.0001307 0.45628 6.95364
302 2NAD NAD 0.004346 0.41537 6.95364
303 2NU8 COA 0.003032 0.41133 6.95364
304 3RJ5 NAD 0.00000003732 0.50485 7.08661
305 1LSS NAD 0.0003673 0.43327 7.14286
306 4NEC SAH 0.01286 0.40356 7.19697
307 3B1F NAD 0.0001054 0.47508 7.24138
308 1Y1P NMN AMP PO4 0.000001152 0.55072 7.28477
309 2DFV NAD 0.0004349 0.4471 7.28477
310 2QZZ NAP 0.003708 0.42052 7.28477
311 2QZZ EMF 0.003932 0.42052 7.28477
312 1SQF SAM 0.003905 0.41994 7.28477
313 2O4C NAD 0.003367 0.41508 7.28477
314 3C1O NAP 0.003011 0.40832 7.28477
315 1REO FAD 0.008164 0.40805 7.28477
316 4FZV SAM 0.001701 0.40776 7.28477
317 3A4T SFG 0.002783 0.41597 7.29927
318 5L95 AMP 0.0002915 0.46519 7.5
319 2V3A FAD 0.002095 0.43211 7.55208
320 4EIP K2C 0.005124 0.42327 7.61589
321 4EIP FAD 0.008523 0.41192 7.61589
322 3LAD FAD 0.009829 0.40745 7.61589
323 2DKH FAD 0.0005171 0.45147 7.94702
324 2DKH 3HB 0.0009889 0.44707 7.94702
325 1DXY NAD 0.0005547 0.44118 7.94702
326 1NYT NAP 0.001672 0.41377 7.94702
327 3IHG FAD 0.003005 0.4144 8.2243
328 1MV8 NAD 0.0008272 0.43416 8.27815
329 1CER NAD 0.0004464 0.431 8.27815
330 1GAD NAD 0.001159 0.42824 8.27815
331 3QV1 NAD 0.0008022 0.42605 8.27815
332 2VYN NAD 0.001953 0.42205 8.27815
333 1MUU NAD 0.002663 0.40616 8.27815
334 4M38 SAH 0.007752 0.4004 8.27815
335 3FGZ BEF 0.01132 0.42602 8.59375
336 2XVE FAD 0.008263 0.42325 8.60927
337 3GD4 FAD 0.01536 0.40982 8.60927
338 3GD4 NAD 0.0233 0.40982 8.60927
339 4BV6 FAD 0.01311 0.40115 8.60927
340 1E6E FAD 0.0009723 0.44387 8.69565
341 4QTU SAM 0.008078 0.40273 8.88889
342 2YY7 NAD 0.00000001584 0.63465 8.9404
343 1B8U OAA 0.001257 0.4341 8.9404
344 1B8U NAD 0.0004901 0.42682 8.9404
345 1F8F NAD 0.004144 0.40432 8.9404
346 1Z45 NAD 0.00000001784 0.56848 9.27152
347 5KKA 6V0 0.00006304 0.43743 9.27152
348 4W6Z 8ID 0.002695 0.42524 9.27152
349 2IZ1 ATR 0.02789 0.4004 9.27152
350 1H82 GZZ 0.008274 0.42389 9.60265
351 1H82 FAD 0.00728 0.42363 9.60265
352 3JV7 NAD 0.0009281 0.40365 9.93377
353 2B5W NAP 0.0002423 0.40056 9.93377
354 2PK3 A2R 0.0000006232 0.52892 10.2649
355 3S5W FAD 0.004742 0.40894 10.2649
356 2Q46 NAP 0.0000001699 0.58788 10.2767
357 3AD8 NAD 0.00332 0.4191 10.3448
358 3AD8 FAD 0.02061 0.40841 10.3448
359 3HVJ 705 0.009966 0.40234 10.4072
360 1RM4 NDP 0.002872 0.41377 10.596
361 1HDG NAD 0.001881 0.41189 10.596
362 1VL0 NAI 0.000000008252 0.6337 10.6164
363 1SC6 NAD 0.001177 0.43529 10.9272
364 5IN4 NAP 0.00000887 0.60356 11.5894
365 5IN4 6CK 0.000008698 0.60356 11.5894
366 5IN4 GDP 0.000008781 0.60251 11.5894
367 1EK6 UPG 0.0000009477 0.59521 11.5894
368 1EK6 NAI 0.0000001732 0.42612 11.5894
369 5GT9 NAP 0.000000002182 0.67012 12.2517
370 3G2O SAM 0.002616 0.42762 12.5828
371 5L4S NAP 0.00000002396 0.63954 12.9139
372 5L4S 6KX 0.00000002396 0.63954 12.9139
373 1N5D NDP 0.000000009851 0.56878 13.8889
374 4K26 NDP 0.000000001551 0.59718 14.1304
375 4K26 SFF 0.000000006428 0.5192 14.1304
376 4J7U NAP 0.0000001185 0.61859 14.5695
377 4J7U YTZ 0.0000001185 0.61859 14.5695
378 3O26 NDP 0.000000003965 0.65702 14.9007
379 5L53 NAP 0.00000001116 0.64029 14.9007
380 1WVG APR 0.0000007525 0.55486 14.9007
381 1OAA OAA 0.00000001722 0.48852 14.9007
382 2DBZ NAP 0.0004015 0.45012 14.9701
383 2FR1 NDP 0.000000000155 0.61855 15.2318
384 3RNM FAD 0.01123 0.40584 15.5172
385 3ORF NAD 0.0000009636 0.5571 15.5378
386 1Z6Z NAP 0.0000001736 0.58969 15.5629
387 1V35 NAI 0.0000004001 0.46409 15.894
388 4OHU NAD 0.0000004784 0.4123 15.917
389 4OHU 2TK 0.0000004784 0.4123 15.917
390 1RKX NAD 0.000000001207 0.59918 16.2252
391 5FA5 MTA 0.002155 0.43941 16.2252
392 3WXB NDP 0.000000001719 0.59366 16.8874
393 2BKA NDP 0.000006807 0.52243 16.9421
394 2HMT NAI 0.0005398 0.43072 17.3611
395 1HDO NAP 0.000002037 0.47788 17.4757
396 3OJF IMJ 0.0000001289 0.61544 18.677
397 3OJF NDP 0.0000001596 0.60117 18.677
398 1WMA AB3 0.00000009601 0.62409 19.2029
399 1WMA NDP 0.00000009601 0.46608 19.2029
400 2DKN NAI 0.0000000002926 0.6403 19.2157
401 1I0Z NAI 0.00006043 0.44404 19.5364
402 1FK8 NAD 0.000000009562 0.61836 19.8444
403 2CDC XYP 0.004443 0.43804 20.1987
404 2CDC NAP 0.006937 0.42929 20.1987
405 2CDC XYS 0.006937 0.42929 20.1987
406 2F5Z FAD 0.01094 0.40634 20.3125
407 1D7O NAD 0.0000001362 0.49373 22.2222
408 3OIG NAD 0.000000106 0.59395 22.5564
409 1GZ6 NAI 0.00000003893 0.54893 23.1975
410 3CH6 NAP 0.000000006137 0.69875 24.4755
411 3CH6 311 0.000000006137 0.69875 24.4755
412 1ZBQ NAD 0.00000001195 0.55741 24.8344
413 4J1Q NDP 0.0000000006518 0.68381 25.1656
414 1XSE NDP 0.0000000003956 0.72096 25.4237
415 2AG5 NAD 0.000000001097 0.67991 26.0163
416 2BD0 NAP 0.00000000001161 0.65398 26.2295
417 1A27 NAP 0.00000002139 0.62699 26.4901
418 3HB5 NAP 0.0000000003457 0.50224 26.4901
419 4ITU NAI 0.0000000001019 0.61283 27.1375
420 4ITU 1HS 0.0000000002982 0.53071 27.1375
421 2GDZ NAD 0.00000000001258 0.75953 27.4834
422 4O1M NAD 0.0000001665 0.59043 27.8146
423 4YAG NAI 0.0000000001119 0.54583 27.8146
424 4EMJ FAD 0.006998 0.41091 28.972
425 1JA9 NDP 0.0000000002611 0.71067 29.927
426 4TQG NDP 0.00000000002633 0.74346 30.1325
427 1XG5 NAP 0.0000000005445 0.61233 30.466
428 1SNY NAP 0.0000002989 0.57336 31.7881
429 4OSP NAP 0.000000000114 0.71746 32.1192
430 4KWI NAP 0.0000000002148 0.54802 32.4503
431 4KWI 1TJ 0.0000000002394 0.54018 32.4503
432 3TN7 NJP 0.0000000001675 0.71606 33.0739
433 3AFN NAP 0.0000000002271 0.71566 33.1126
434 4D42 NAP 0.0000001012 0.63178 33.3333
435 4D42 W0I 0.0000001012 0.63178 33.3333
436 1MXH DHF 0.000000002907 0.68019 34.4371
437 1MXH NAP 0.000000004093 0.6739 34.4371
438 1BDB NAD 0.000000001132 0.58397 35.0181
439 1PR9 NAP 0.0000000001985 0.71809 35.0993
440 3D3W NAP 0.0000000003408 0.70833 35.0993
441 3H4V DVP 0.000000002403 0.69124 35.0993
442 3H4V NAP 0.000000002946 0.68564 35.0993
443 3U4C NDP 0.00000000546 0.64885 35.0993
444 3A28 NAD 0.00000000007883 0.64847 35.0993
445 3GEG NAD 0.0000000000442 0.73131 35.4305
446 3VZS NAP 0.0000000005799 0.51527 35.4305
447 3VZS CAA 0.000000002413 0.42832 35.4305
448 3ZV6 NAD 0.0000000006179 0.53289 35.5872
449 3ZV6 4HB 0.0000000006842 0.5257 35.5872
450 2PD4 DCN 0.0000009832 0.5681 35.6364
451 2PD4 NAD 0.000001118 0.56576 35.6364
452 2Q2V NAD 0.00000000009572 0.73125 35.7616
453 1ZEM NAD 0.00000000003932 0.7303 35.7616
454 1G0N PHH 0.0000000002992 0.72812 36.4238
455 1G0N NDP 0.0000000002147 0.72811 36.4238
456 3ICC NAP 0.000000000133 0.6202 36.4238
457 3SJU NDP 0.000000000001652 0.6916 36.755
458 4FN4 NAD 0.00000000001826 0.66978 36.755
459 4NBW NAD 0.00000000004295 0.73182 37.0861
460 2VZ0 D64 0.00000003357 0.67953 37.0861
461 2VZ0 NAP 0.00000003357 0.67953 37.0861
462 1E3W NAD 0.000000000008982 0.67939 37.1647
463 1E6W NAD 0.00000000001976 0.66737 37.3077
464 3RKR NAP 0.000007741 0.44785 37.4046
465 2DTX BMA 0.000000000005457 0.79799 37.4172
466 4NBU NAI 0.000000000002343 0.6878 37.4172
467 1GEG NAD 0.00000000002194 0.66714 37.5
468 1H5Q NAP 0.00000000000127 0.69601 37.7358
469 5JDI NAP 0.0000000008535 0.68176 37.7483
470 2WD7 NAP 0.000000000858 0.68167 37.7483
471 5K6A NAP 0.000000001129 0.6794 37.7483
472 3JQ8 NAP 0.00000000115 0.67908 37.7483
473 3BMN NAP 0.000000001523 0.67406 37.7483
474 3JQ9 NAP 0.000000001827 0.67082 37.7483
475 4CLO NAP 0.0000000007707 0.63622 37.7483
476 4CM4 NAP 0.0000000006651 0.62833 37.7483
477 3BMO NAP 0.0000000006654 0.62827 37.7483
478 4CLR NAP 0.0000000008454 0.62477 37.7483
479 3JQA NAP 0.000000001761 0.62341 37.7483
480 5JDC NAP 0.0000000009625 0.62293 37.7483
481 5JCJ NAP 0.0000000009722 0.62276 37.7483
482 4CM8 NAP 0.0000000009731 0.62254 37.7483
483 4CMI NAP 0.000000001042 0.62175 37.7483
484 3JQB NAP 0.000000001968 0.62175 37.7483
485 3JQG NAP 0.000000002206 0.62 37.7483
486 3BMQ NAP 0.0000000007583 0.61615 37.7483
487 4CM9 NAP 0.0000000007636 0.61615 37.7483
488 4CME NAP 0.000000001873 0.61275 37.7483
489 3JQ7 NAP 0.000000003893 0.61115 37.7483
490 3JQF NAP 0.000000001258 0.60908 37.7483
491 2WYV NAD 0.0000003267 0.57842 37.7483
492 1U7T TDT 0.0000000000376 0.76665 37.931
493 1U7T NAD 0.00000000007668 0.72159 37.931
494 2CFC NAD 0.00000000002399 0.67688 38
495 2AE2 NAP 0.00000000001816 0.77801 38.0769
496 2AE2 PTO 0.00000000001816 0.58077 38.0769
497 4NBT NAD 0.00000000003059 0.67433 38.0795
498 2RH4 EMO 0.000000000003077 0.56007 38.0795
499 2EWM NAD 0.00000000001128 0.66721 38.4106
500 2JAH NDP 0.00000000002513 0.75001 38.4615
501 2BGM NAJ 0.0000000000898 0.7158 38.4892
502 1EDO NAP 0.00000000001852 0.75823 38.5246
503 1UZN NAP 0.00000006896 0.53361 38.8664
504 3SJ7 NDP 0.00000000001289 0.75612 38.8889
505 1QG6 TCL 0.000000386 0.59808 39.404
506 1QG6 NAD 0.000000386 0.59808 39.404
507 2JAP NDP 0.00000000001418 0.66144 39.6761
508 4CQM NAP 0.000000000006213 0.77209 39.7351
509 3V1U NAD 0.000000000016 0.74283 39.7351
510 5CG1 NAD BBN 0.0000005092 0.41034 39.7351
511 3QWI CUE 0.0000000003192 0.72692 40.3704
512 3QWI NAP 0.0000000001057 0.72692 40.3704
513 2WSB NAD 0.0000000000357 0.7655 40.5512
514 4Q9N NAI 0.00000006012 0.61078 40.604
515 2B4Q NAP 0.0000000003704 0.62525 40.942
516 5T2U NAP 0.000000000006289 0.65015 41.129
517 1AE1 NAP 0.0000000001395 0.72446 41.3919
518 1XKQ NDP 0.0000000004591 0.70296 41.7219
519 3OID NDP 0.00000000001755 0.76187 41.8605
520 5ITV NAI 0.000000000001834 0.79686 41.9608
521 1XHL NDP 0.0000000004062 0.70272 42.0875
522 1X1T NAD 0.0000000001636 0.60788 42.3077
523 4QED NAP 0.00000000005704 0.73259 42.3387
524 4O0L NDP 0.00000000009083 0.63636 42.9091
525 3O03 NAP 0.00000000004203 0.72913 42.9553
526 1O5I NAD 0.0000003784 0.53805 42.9719
527 3AY6 NAI 0.00000000003734 0.58905 43.1227
528 3AY6 BGC 0.0000000001614 0.49663 43.1227
529 5THQ NDP 0.00000000001735 0.7538 43.3824
530 1UAY ADN 0.0000004929 0.61536 44.2149
531 1ZK4 NAP 0.00000000005761 0.74774 44.2231
532 5EPO NAP 0.00000005535 0.55136 44.2748
533 2ZAT NAP 0.0000000001425 0.71627 45
534 1NFQ NAI 0.00000000001825 0.75849 45.3846
535 1YXM ADE 0.000000001897 0.44647 45.6954
536 1GEE NAD 0.000000000007667 0.68137 46.3602
537 1IY8 NAD 0.0000000000062 0.77506 46.8165
538 3NUG NAD 0.000000000005234 0.77809 46.9636
539 4ZA2 NAD 0.000000003028 0.65931 48.2213
540 1VL8 NAP 0.000000000002446 0.66433 49.0637
Pocket No.: 2; Query (leader) PDB : 1W8D; 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: 1w8d.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1W8D; 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: 1w8d.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1W8D; 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: 1w8d.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback