Receptor
PDB id Resolution Class Description Source Keywords
4L8V 2.09 Å EC: 1.1.1.18 CRYSTAL STRUCTURE OF A12K/D35S MUTANT MYO-INOSITOL DEHYDROGE BACILLUS SUBTILIS WITH BOUND COFACTOR NADP BACILLUS SUBTILIS SUBSP. SUBTILIS COFACTOR BINDING SITES CATALYSIS HYDROGEN BONDING INOSITKINETICS SUGAR ALCOHOL DEHYDROGENASE ROSSMANN FOLD NADP OXIDOREDUCTASE
Ref.: CONVERTING NAD-SPECIFIC INOSITOL DEHYDROGENASE TO A EFFICIENT NADP-SELECTIVE CATALYST, WITH A SURPRISIN BIOCHEMISTRY V. 52 5876 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP C:401;
A:401;
D:401;
B:400;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
EDO D:402;
A:402;
C:403;
C:402;
A:403;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4L8V 2.09 Å EC: 1.1.1.18 CRYSTAL STRUCTURE OF A12K/D35S MUTANT MYO-INOSITOL DEHYDROGE BACILLUS SUBTILIS WITH BOUND COFACTOR NADP BACILLUS SUBTILIS SUBSP. SUBTILIS COFACTOR BINDING SITES CATALYSIS HYDROGEN BONDING INOSITKINETICS SUGAR ALCOHOL DEHYDROGENASE ROSSMANN FOLD NADP OXIDOREDUCTASE
Ref.: CONVERTING NAD-SPECIFIC INOSITOL DEHYDROGENASE TO A EFFICIENT NADP-SELECTIVE CATALYST, WITH A SURPRISIN BIOCHEMISTRY V. 52 5876 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NT4 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 3NT2 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 4L8V - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NT4 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 3NT2 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 4L8V - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NT4 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 3NT2 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 4L8V - 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 : 4L8V; Ligand: NAP; Similar sites found: 497
This union binding pocket(no: 1) in the query (biounit: 4l8v.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.01138 0.42878 None
2 2BOS GLA GAL GLC 0.01344 0.42424 None
3 2DKN NAI 0.002224 0.40966 1.17647
4 1BW9 NAD 0.000002333 0.55443 1.18694
5 1BXG NAD 0.00000546 0.51855 1.18694
6 1C1X NAD 0.000006432 0.51573 1.18694
7 2VHW NAI 0.00002306 0.49132 1.18694
8 4E5N NAD 0.00001632 0.48078 1.21212
9 2JAP NDP 0.0009723 0.41601 1.21457
10 5N2I NAP 0.000644 0.45437 1.2931
11 1RP0 AHZ 0.0003242 0.44149 1.40845
12 2BH9 NAP 0.0002004 0.49558 1.48368
13 2GZ3 NAP 0.0003754 0.41899 1.48368
14 1TB4 PEJ 0.001269 0.41621 1.48368
15 1ORR NAD 0.001328 0.40653 1.48368
16 5EOW FAD 0.0007554 0.40607 1.48368
17 2V6G NAP 0.002196 0.4028 1.48368
18 2Q0L NAP 0.002335 0.44534 1.60772
19 1O6Z NAD 0.00002246 0.50304 1.65016
20 4NBT NAD 0.00359 0.40169 1.66667
21 3GFB NAD 0.00001354 0.49862 1.78042
22 4HXY NDP 0.00004836 0.46379 1.78042
23 1D1T NAD 0.00003639 0.46245 1.78042
24 4W6Z 8ID 0.0004105 0.443 1.78042
25 1MO9 FAD 0.002934 0.43985 1.78042
26 4TM3 FAD 0.002474 0.43755 1.78042
27 1MO9 KPC 0.003792 0.43563 1.78042
28 1P0F NAP 0.0002538 0.43275 1.78042
29 4XQC NAD 0.00001183 0.42744 1.78042
30 4XQC 13D 0.00001711 0.41949 1.78042
31 2B5W NAP 0.0004015 0.41502 1.78042
32 5M67 3D1 0.00001304 0.41435 1.78042
33 5M67 NAD 0.00001337 0.41435 1.78042
34 2AWN ADP 0.04696 0.4114 1.78042
35 5M67 ADE 0.00001834 0.41019 1.78042
36 2X3N FAD 0.0003683 0.40421 1.78042
37 4MDH NAD 0.000401 0.44135 1.79641
38 5MDH NAD 0.0004142 0.4408 1.8018
39 5O4J PJL 0.0007612 0.4117 1.82482
40 5O4J SAH 0.0008106 0.40674 1.82482
41 5O4J 9KH 0.0008106 0.40674 1.82482
42 5UAV NDP 0.00001973 0.45052 1.86335
43 5UAV TFB 0.00001973 0.45052 1.86335
44 4CJX NAP 0.0005444 0.44276 1.88088
45 4ZRN NAD 0.0008853 0.40425 1.92308
46 1X7D NAD 0.00004842 0.47327 2.07715
47 1CDO NAD 0.0002482 0.45292 2.07715
48 4XYB NDP 0.00004154 0.45135 2.07715
49 1R6D NAD 0.0009863 0.44446 2.07715
50 1R6D DAU 0.0009737 0.44383 2.07715
51 3S5W NAP 0.003969 0.43447 2.07715
52 1Z45 NAD 0.0004322 0.43381 2.07715
53 1X7D ORN 0.00007418 0.42633 2.07715
54 3S5W FAD 0.0006032 0.42365 2.07715
55 4R5M NAP 0.002373 0.40858 2.07715
56 1ZBQ NAD 0.001325 0.40734 2.07715
57 1XG5 NAP 0.002164 0.40337 2.07715
58 5AHO TLA 0.003038 0.44824 2.08333
59 2D5A COA 0.003686 0.41512 2.08333
60 2PZM UDP 0.0008413 0.43882 2.12121
61 2PZM NAD 0.0008413 0.43882 2.12121
62 3F8D FAD 0.01291 0.4085 2.16718
63 5THQ NDP 0.000794 0.42387 2.20588
64 4UP3 NDP 0.006505 0.4077 2.2293
65 5X20 NAD 0.000121 0.46909 2.24359
66 2EV9 NAP 0.000007939 0.48702 2.28137
67 2EV9 SKM 0.000007939 0.48702 2.28137
68 5GT9 NAP 0.001517 0.4091 2.28137
69 1U7T NAD 0.001469 0.4194 2.29885
70 2P3V SRT 0.03886 0.40645 2.34375
71 2NXE SAM 0.01034 0.40808 2.3622
72 1MV8 NAD 0.000006266 0.51618 2.37389
73 1MUU NAD 0.00001611 0.50437 2.37389
74 1X87 NAD 0.00008851 0.48282 2.37389
75 3ULK NDP 0.0004364 0.45771 2.37389
76 2Q1S NAI 0.000317 0.45563 2.37389
77 1E3I CXF 0.00003875 0.44169 2.37389
78 2Y6Q FAD 0.0001968 0.43591 2.37389
79 4USQ FAD 0.0007443 0.40604 2.37389
80 4RSL FAD 0.0004535 0.40475 2.37389
81 4BVA NDP 0.0002102 0.44714 2.38806
82 4BVA T3 0.0006332 0.43815 2.38806
83 1PZG A3D 0.00003271 0.43998 2.41692
84 1E7S NAP 0.002888 0.4054 2.49221
85 3SJU NDP 0.0005265 0.42557 2.50896
86 1TDF NAP 0.006735 0.42046 2.53165
87 1TDF FAD 0.002979 0.41982 2.53165
88 1NYT NAP 0.0004982 0.44431 2.58303
89 5JE8 NAD 0.000002049 0.54046 2.64901
90 1OBB NAD 0.0008144 0.43906 2.67062
91 2WPF WPF 0.005362 0.43607 2.67062
92 4EIP K2C 0.001186 0.43584 2.67062
93 2WPF FAD 0.005083 0.4357 2.67062
94 2GV8 NDP 0.001002 0.43536 2.67062
95 1RYI FAD 0.00116 0.43121 2.67062
96 1KEV NDP 0.0001478 0.4308 2.67062
97 3KLJ FAD 0.0002333 0.42858 2.67062
98 4EIP FAD 0.001685 0.42784 2.67062
99 4TSK NDP 0.002302 0.41461 2.67062
100 1WDI CIT 0.03658 0.40747 2.67062
101 1VQW FAD 0.001183 0.40383 2.67062
102 2ZJ1 NAD 0.00002098 0.4031 2.67062
103 2GVC FAD 0.001257 0.40291 2.67062
104 2ZJ1 ARJ 0.00002287 0.40234 2.67062
105 3Q3C NAD 0.00004143 0.49214 2.67559
106 1Z82 NDP 0.003886 0.40294 2.68657
107 1I0Z NAI 0.000006842 0.50155 2.7027
108 3FG2 FAD 0.0008759 0.40825 2.72277
109 1GEG NAD 0.001914 0.40948 2.73438
110 1SOW NAD 0.00000749 0.48741 2.7439
111 2BD0 NAP 0.001012 0.41106 2.86885
112 5CAE COA 0.00002081 0.5044 2.8754
113 5CAE SIN 0.0000672 0.44822 2.8754
114 4D3F NAP 0.00005423 0.49626 2.90323
115 1HYH NAD 0.000001166 0.52276 2.91262
116 5AYV KPL 0.00003219 0.48426 2.91262
117 5AYV NAP 0.00002537 0.45254 2.91262
118 2B4R NAD 0.00002813 0.47241 2.96736
119 1HKU NAD 0.00003139 0.47023 2.96736
120 5DN9 NAD 0.00001964 0.46596 2.96736
121 2B4R AES 0.00007277 0.46292 2.96736
122 1LLU NAD 0.0000465 0.44848 2.96736
123 1FEC FAD 0.0009958 0.43888 2.96736
124 3SQP FAD 0.0148 0.43274 2.96736
125 2I3G NAP 0.000807 0.41885 2.96736
126 4EUE NAI 0.001391 0.40577 2.96736
127 1W73 NAP 0.000492 0.44805 2.98013
128 1W8D NAP 0.0005717 0.44537 2.98013
129 3IHG FAD 0.003299 0.4031 2.99065
130 1J49 NAD 0.00000807 0.50304 3.003
131 3BAZ NAP 0.00001973 0.50083 3.003
132 3LZW FAD 0.0002054 0.40945 3.01205
133 1H5Q NAP 0.0009997 0.41543 3.01887
134 5E5U MLI 0.012 0.43054 3.0303
135 2HJR APR 0.000003385 0.54205 3.04878
136 3FGZ BEF 0.0383 0.4013 3.125
137 2O4C NAD 0.00005413 0.46942 3.15789
138 3CIF G3H 0.00002454 0.48879 3.2641
139 3CIF NAD 0.00001294 0.4866 3.2641
140 4ZGS NAD 0.000006756 0.47638 3.2641
141 4RQU NAD 0.00005356 0.47159 3.2641
142 1LVL NAD 0.0006137 0.45528 3.2641
143 3LXD FAD 0.0004894 0.43877 3.2641
144 1P31 EPU 0.003292 0.4306 3.2641
145 3WMX NAD 0.001085 0.42756 3.2641
146 1YKF NAP 0.001422 0.41434 3.2641
147 3L4S NAD 0.00009794 0.44696 3.27381
148 3L4S 3PG 0.0001003 0.44147 3.27381
149 3WBF NAP 0.0001955 0.45008 3.27869
150 3WBF API 0.00007029 0.44836 3.27869
151 3KB6 NAD 0.00003393 0.48309 3.29341
152 1SQS TLA 0.04027 0.40667 3.30579
153 1W6U NAP 0.001633 0.42665 3.31126
154 1J0X NAD 0.00005274 0.40913 3.31325
155 1EJ0 SAM 0.009645 0.40946 3.33333
156 1B8U NAD 0.0002098 0.47551 3.34347
157 1B8U OAA 0.0007857 0.41553 3.34347
158 1IY8 NAD 0.00138 0.41044 3.37079
159 5GZ6 NDP 0.00007708 0.49438 3.37423
160 5GZ6 7C3 0.00008244 0.48411 3.37423
161 5L53 NAP 0.00763 0.40473 3.39506
162 2AG8 NAP 0.0003737 0.46463 3.42205
163 2RBK VN4 0.01644 0.42429 3.44828
164 5KKA 6V0 0.00005052 0.45783 3.52564
165 3KO8 NAD 0.001664 0.40285 3.52564
166 3VPH NAD 0.000004151 0.48952 3.54839
167 3VPH OXM 0.000002923 0.4838 3.54839
168 1PL6 NAD 0.000002336 0.56028 3.56083
169 1X14 NAD 0.0001703 0.49368 3.56083
170 1CF2 NAP 0.000005628 0.4909 3.56083
171 1PL6 572 0.00001572 0.47581 3.56083
172 2FR1 NDP 0.00006568 0.45385 3.56083
173 1Y8Q ATP 0.0009006 0.43727 3.56083
174 1PS9 FAD 0.001033 0.43319 3.56083
175 4MP8 NAD 0.00006546 0.42888 3.56083
176 1VJT NAD 0.003474 0.42598 3.56083
177 1BXK NAD 0.001025 0.42255 3.56083
178 1PS9 NAP 0.0009591 0.40952 3.56083
179 3LU1 NAD 0.002092 0.40803 3.56083
180 3M89 GSP 0.02808 0.40076 3.56083
181 4NBU NAI 0.001192 0.41292 3.6
182 5BSH PRO 0.0005752 0.41957 3.61011
183 1CER NAD 0.000005476 0.5185 3.62538
184 2GCG NDP 0.0001157 0.45879 3.63636
185 3NUG NAD 0.001056 0.42063 3.64372
186 1LDM NAD 0.00001152 0.49304 3.64742
187 3WV8 ATP 0.00003231 0.51592 3.66972
188 4ITU NAI 0.001213 0.40439 3.71747
189 1DJN ADP 0.00007564 0.48567 3.84088
190 2DFV NAD 0.000006357 0.51139 3.85757
191 1VKO NAD 0.00003354 0.4637 3.85757
192 2BRY FAD 0.0001554 0.45511 3.85757
193 1SAY PYR 0.00006855 0.44357 3.85757
194 3UCL NAP 0.001922 0.44216 3.85757
195 4TXI FAD 0.0001607 0.43951 3.85757
196 1QMG APX 0.001011 0.43862 3.85757
197 3UCL CYH 0.002256 0.43723 3.85757
198 3UCL FAD 0.002256 0.43723 3.85757
199 3L9W AMP 0.0002542 0.43686 3.85757
200 3L9W GSH 0.0006693 0.42962 3.85757
201 3SSO SAH 0.002617 0.42792 3.85757
202 4MIG G3F 0.003609 0.41822 3.85757
203 4JJF FE9 0.001601 0.41795 3.85757
204 5L4L NAP 0.003989 0.41072 3.85757
205 3DAG FEG 0.0007966 0.40859 3.85757
206 4JJF N2I 0.002087 0.40807 3.85757
207 2B9W FAD 0.008452 0.40788 3.85757
208 4JK3 NAD 0.000001971 0.53607 3.861
209 4J4H NAI 0.00001016 0.41838 3.861
210 4J4H 1J1 0.00001016 0.41838 3.861
211 2Q1W NAD 0.0004134 0.42436 3.9039
212 4XZ3 COA 0.0003153 0.45977 3.91304
213 2EUG URA 0.02814 0.40043 3.93013
214 1J5P NAD 0.00002333 0.48942 3.95257
215 4TQG NDP 0.001919 0.41211 4.02477
216 1T26 NAI 0.00001418 0.43252 4.03727
217 2A92 NAI 0.00001685 0.47507 4.04984
218 5T9E NAP 0.0001651 0.45993 4.05904
219 5T9F TYR 0.00007493 0.42737 4.05904
220 5T9F NAP 0.0001039 0.42724 4.05904
221 3HVJ 705 0.001738 0.41993 4.0724
222 3RFV 15L 0.001978 0.41721 4.11985
223 3RFV NAI 0.001691 0.41701 4.11985
224 3GGO ENO 0.000006896 0.44235 4.14013
225 3GGO NAI 0.000006896 0.44235 4.14013
226 4D79 ATP 0.0002731 0.47945 4.1543
227 3MJE NDP 0.00009696 0.45823 4.1543
228 1LJ8 NAD 0.0007553 0.44756 4.1543
229 1GR0 NAD 0.00006008 0.4448 4.1543
230 1UP7 NAD 0.00059 0.44135 4.1543
231 1M2W NAD 0.001257 0.43466 4.1543
232 1BZL FAD 0.00613 0.43261 4.1543
233 2X6T NAP 0.001232 0.41669 4.1543
234 1PJS NAD 0.00006679 0.41363 4.1543
235 1RM0 NAI 0.00003942 0.40595 4.1543
236 4GKV NAD 0.00002937 0.45523 4.16667
237 1NVT NAP 0.0002805 0.45806 4.18118
238 4OSP NAP 0.001253 0.4192 4.18251
239 4PLG NAI 0.000009014 0.45791 4.19162
240 1NFQ NAI 0.003197 0.40372 4.23077
241 4E13 NAD 0.00001659 0.52334 4.24028
242 1OMO NAD 0.000001991 0.54622 4.34783
243 1F06 NDP 0.0009781 0.40529 4.375
244 1F06 2NP 0.0009781 0.40529 4.375
245 1O0S NAI 0.00001052 0.52147 4.45104
246 1SC6 NAD 0.00002995 0.46564 4.45104
247 1WPQ NAD 0.0008356 0.44208 4.45104
248 5VN0 NAI 0.0007452 0.43401 4.45104
249 2GSD NAD 0.00009138 0.43316 4.45104
250 4J1Q NDP 0.0004534 0.4264 4.45104
251 5VN0 FAD 0.0003878 0.40448 4.45104
252 5MZN ADP 0.04064 0.40353 4.45104
253 3GEG NAD 0.00167 0.41723 4.45344
254 2CVZ NDP 0.0000541 0.47912 4.49827
255 3JQG NAP 0.0006851 0.43229 4.51389
256 3JQB NAP 0.0008766 0.42813 4.51389
257 4CMI NAP 0.0007338 0.42809 4.51389
258 3JQA NAP 0.0009048 0.42759 4.51389
259 3BMO NAP 0.0007652 0.4274 4.51389
260 4CM8 NAP 0.0007884 0.4269 4.51389
261 4CLR NAP 0.0007975 0.42671 4.51389
262 4CLO NAP 0.0009616 0.42656 4.51389
263 4CME NAP 0.000839 0.42587 4.51389
264 4CM4 NAP 0.0008816 0.42505 4.51389
265 5JCJ NAP 0.000914 0.42445 4.51389
266 4CM9 NAP 0.0008231 0.42328 4.51389
267 5JDI NAP 0.0009883 0.42315 4.51389
268 3BMQ NAP 0.0008308 0.42313 4.51389
269 3JQ8 NAP 0.000846 0.42283 4.51389
270 3JQF NAP 0.0008591 0.42258 4.51389
271 5JDC NAP 0.001025 0.42253 4.51389
272 5K6A NAP 0.0008744 0.42229 4.51389
273 3BMN NAP 0.0009678 0.42063 4.51389
274 3JQ9 NAP 0.0009915 0.42024 4.51389
275 3JQ7 NAP 0.002306 0.41177 4.51389
276 1EQ2 NAP 0.0009527 0.42089 4.51613
277 1UAY ADN 0.01007 0.41902 4.54545
278 1ZEM NAD 0.0001017 0.46826 4.58015
279 1G0N NDP 0.0009603 0.43111 4.59364
280 1G0N PHH 0.001328 0.4289 4.59364
281 4CQM NAP 0.0003229 0.43857 4.5977
282 2G5C NAD 0.000003671 0.51172 4.62633
283 2PK3 A2R 0.01085 0.40401 4.6729
284 2WSB NAD 0.000458 0.44598 4.72441
285 1WKM MET 0.04121 0.40449 4.74576
286 1V59 NAD 0.0005326 0.48585 4.74777
287 1H2B NAJ 0.00005463 0.45066 4.74777
288 1F8G NAD 0.0007727 0.44714 4.74777
289 2NAD NAD 0.00008237 0.43448 4.74777
290 1U1I NAD 0.0001247 0.43432 4.74777
291 1E5Q NDP 0.0005304 0.43349 4.74777
292 4XDZ NDP 0.0009636 0.43277 4.74777
293 3JV7 NAD 0.0004997 0.43144 4.74777
294 5E4R NAP 0.001716 0.41397 4.74777
295 4IF4 BEF 0.02916 0.40546 4.80769
296 5D4V SAH 0.0002798 0.46592 4.85075
297 2WD7 NAP 0.0007188 0.42844 4.85075
298 1UXG NAD 0.000003038 0.46685 4.85437
299 4RDH AMP 0.0004902 0.47728 4.86111
300 4RDI ATP 0.001083 0.45242 4.86111
301 3H4V NAP 0.001115 0.41832 4.86111
302 1VL8 NAP 0.000451 0.41905 4.86891
303 3QV1 NAD 0.000009312 0.51396 4.87805
304 1I36 NAP 0.00003608 0.49911 4.92424
305 2PV7 NAD 0.000002434 0.52762 5.03356
306 5KVA SAM 0.003328 0.42012 5.03597
307 5FI3 NAP 0.001771 0.41075 5.04202
308 3ICS ADP 0.000006638 0.57964 5.04451
309 3ICT ADP 0.00000853 0.57427 5.04451
310 3NJ4 NAD 0.00008552 0.52216 5.04451
311 3NJ4 AFX 0.0002047 0.50525 5.04451
312 1NVM NAD 0.00002628 0.47339 5.04451
313 2OOR NAD 0.0006947 0.44911 5.04451
314 1L7E NAI 0.0008144 0.43906 5.04451
315 3WLE NAD 0.00007351 0.43348 5.04451
316 4DPL NAP 0.001022 0.41974 5.04451
317 4USR FAD 0.002393 0.40978 5.04451
318 5G3U FDA 0.000297 0.40397 5.04451
319 2VOH CIT 0.02571 0.42681 5.09554
320 1HDG NAD 0.00002552 0.49632 5.12048
321 1AE1 NAP 0.001443 0.41818 5.12821
322 1WP4 NDP 0.00002047 0.49163 5.19031
323 2EWM NAD 0.0003902 0.43052 5.22088
324 1C3V NDP 0.0000197 0.47834 5.30612
325 1EDO NAP 0.001416 0.40615 5.32787
326 3H9E NAD 0.00003507 0.48657 5.34125
327 2YVF NAD 0.0003394 0.46924 5.34125
328 2YVF FAD 0.0003246 0.46924 5.34125
329 2RGJ FAD 0.0005033 0.41705 5.34125
330 1Y1P NMN AMP PO4 0.00347 0.41622 5.34125
331 2DKH FAD 0.0006959 0.41242 5.34125
332 1EZ4 NAD 0.000001543 0.54028 5.34591
333 2ZAT NAP 0.003268 0.40073 5.38462
334 1XHL NDP 0.0029 0.40533 5.38721
335 1DXY NAD 0.000004049 0.52369 5.40541
336 4O0L NDP 0.001749 0.40655 5.45455
337 4FN4 NAD 0.0008796 0.42219 5.51181
338 2VT3 ATP 0.0000003465 0.64278 5.5814
339 2GDZ NAD 0.001436 0.41418 5.61798
340 1EBF NAD 0.000001999 0.49566 5.63798
341 5MQ6 NDP 0.0007789 0.44335 5.63798
342 1F8F NAD 0.0006737 0.43903 5.63798
343 4OOE NDP 0.00116 0.42639 5.63798
344 4PIV NDP 0.001141 0.41936 5.63798
345 4XB2 HSE 0.000001862 0.52661 5.67164
346 4XB2 NDP 0.0000003736 0.51294 5.67164
347 2CVQ NDP 0.0001589 0.45352 5.8104
348 3TN7 NJP 0.0007964 0.4192 5.83658
349 1VKF CIT 0.03842 0.40448 5.85106
350 5ITV NAI 0.0004044 0.43001 5.88235
351 3V1Y NAD 0.000008447 0.51105 5.93472
352 3V1U NAD 0.00278 0.41421 5.93472
353 3WQQ IB3 0.0001344 0.40955 5.93472
354 3WQQ NDP 0.0001344 0.40955 5.93472
355 3FZG SAM 0.01484 0.40739 6
356 1P1C SAH 0.002795 0.42015 6.03015
357 3U4C NDP 0.003447 0.40237 6.04982
358 3ABI NAD 0.00002247 0.48212 6.23145
359 1ZMD NAI 0.0002834 0.45419 6.23145
360 4J36 FAD 0.0001767 0.43252 6.23145
361 1H9A NAP 0.0001704 0.4309 6.23145
362 2QA1 FAD 0.000411 0.41207 6.23145
363 1WVG APR 0.00355 0.40992 6.23145
364 4KP7 1UQ 0.0001246 0.40466 6.23145
365 3QWI NAP 0.00171 0.40346 6.2963
366 1DSS NAD 0.000007248 0.51835 6.30631
367 1LDN NAD 0.0000006778 0.54134 6.32911
368 2CFC NAD 0.003222 0.40349 6.4
369 4L8F MTX 0.04459 0.40019 6.41026
370 1GY8 NAD 0.001071 0.41437 6.52819
371 2GK6 ADP 0.04129 0.40316 6.52819
372 4JBI NDP 0.005585 0.40198 6.52819
373 1GAD NAD 0.00002443 0.4672 6.66667
374 2IZ1 ATR 0.002716 0.46458 6.82493
375 3LAD FAD 0.001592 0.42683 6.82493
376 3DXY SAM 0.01408 0.41568 6.88073
377 2VYN NAD 0.00001772 0.48996 6.94864
378 4NBW NAD 0.00421 0.40158 7.00389
379 2YY7 NAD 0.0004404 0.4287 7.05128
380 3OND ADN 0.0000092 0.42067 7.12166
381 3OND NAD 0.0000092 0.42067 7.12166
382 2V3B FAD 0.0002875 0.40893 7.12166
383 2V3A FAD 0.0002571 0.40651 7.12166
384 3O03 NAP 0.000833 0.4321 7.2165
385 3GD4 NAD 0.0007156 0.44489 7.4184
386 1K3T BRZ 0.0001413 0.43716 7.4184
387 4K5S FAD 0.0003938 0.4207 7.4184
388 3GD4 FAD 0.0005101 0.40184 7.4184
389 1RQL VSO 0.02984 0.40298 7.49064
390 9LDB NAD 0.000002179 0.51299 7.53012
391 9LDT NAD 0.000002277 0.51233 7.53012
392 1V6A TRE 0.001434 0.48216 7.53012
393 3B1F NAD 0.000002464 0.55343 7.58621
394 2NU8 COA 0.00003962 0.48447 7.63889
395 2AE2 NAP 0.0006537 0.43992 7.69231
396 4Q3F TLA 0.01677 0.42478 7.69231
397 2CDU ADP 0.00001354 0.54438 7.71513
398 3A06 NDP 0.0001082 0.43684 7.71513
399 3A06 FOM 0.00009008 0.43115 7.71513
400 2CDU FAD 0.0004805 0.4056 7.71513
401 1FK8 NAD 0.002602 0.41537 7.7821
402 1PR9 NAP 0.0008552 0.42684 7.78689
403 3D3W NAP 0.0007667 0.41064 7.78689
404 2Q46 NAP 0.002413 0.4083 7.90514
405 2HK9 ATR 0.000005576 0.59129 8
406 2HK9 NAP 0.00001929 0.49685 8
407 1JNR FAD 0.001873 0.4458 8
408 1V8B NAD 0.000008037 0.46458 8.01187
409 2NVK NAP 0.005981 0.44805 8.01187
410 3AD8 NAD 0.000914 0.42705 8.08081
411 3AD8 FAD 0.01659 0.40157 8.08081
412 2DBZ NAP 0.00002861 0.47358 8.08383
413 3AFN NAP 0.003664 0.40271 8.13953
414 4K28 NAD 0.000001028 0.55253 8.17844
415 2F1K NAP 0.0000001824 0.577 8.24373
416 2BGM NAJ 0.0004868 0.42168 8.27338
417 1O94 ADP 0.000104 0.47573 8.33333
418 2JL1 NAP 0.009453 0.40076 8.36237
419 1ZQ9 SAM 0.001338 0.44828 8.42105
420 1E3W NAD 0.001069 0.419 8.42912
421 1E6W NAD 0.002345 0.40616 8.46154
422 2DC1 NAD 0.00008979 0.46664 8.47458
423 3ORF NAD 0.0005245 0.43368 8.76494
424 1KOL NAD 0.0002647 0.41519 8.79397
425 3OJO NAD 0.0000043 0.53771 8.90208
426 1XHC FAD 0.0004482 0.40679 8.90208
427 1FWV SGA MAG FUC 0.003272 0.47107 8.95522
428 3OA2 NAD 0.00000006248 0.5838 9.1195
429 3SJ7 NDP 0.0008579 0.4255 9.12698
430 2YVJ NAI 0.0002421 0.48181 9.17431
431 3B20 NAD 0.00002356 0.5022 9.19881
432 2D2I NAP 0.00005896 0.48585 9.19881
433 5VKT NAP 0.002579 0.4046 9.39227
434 2Q2V NAD 0.003923 0.40158 9.41177
435 2DT5 NAD 0.0000003265 0.55633 9.47867
436 1O5I NAD 0.004567 0.42071 9.63855
437 1VI2 NAD 0.0009761 0.44282 9.66667
438 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.03426 0.4036 9.83607
439 1HYE NAP 0.0007852 0.44321 9.90415
440 1P77 ATR 0.0000165 0.58375 9.92647
441 5H81 NAP 0.0000542 0.49627 10.0257
442 2AHR NAP 0.001018 0.4198 10.0386
443 1NPD NAD 0.0008316 0.43869 10.0694
444 5LD5 NAD 0.00001063 0.52128 10.089
445 5KVS NAP 0.0004552 0.44943 10.089
446 5KVS 6XR 0.001062 0.4069 10.089
447 1VM6 NAD 0.00008906 0.44347 10.5263
448 1GUZ NAD 0.000007126 0.49669 10.6452
449 1GV0 NAD 0.000009261 0.49661 10.6452
450 1GQ2 NAP 0.00002702 0.48296 10.6825
451 1I7Q PYR 0.01616 0.42537 10.6825
452 1A5Z NAD 0.0000003753 0.58822 10.9718
453 1RM4 NDP 0.00006766 0.45562 10.9792
454 2YYY NAP 0.0001913 0.45043 11.276
455 1LTH NAD 0.000001733 0.54869 11.2853
456 2HYR BGC GLC 0.03389 0.41121 11.4754
457 1YJQ NAP 0.00001275 0.4731 11.5512
458 1YS4 NAP 0.0009396 0.44352 11.5727
459 2FKA BEF 0.001403 0.46817 11.6279
460 5U5G NAP 0.00008774 0.46339 11.8644
461 1KYQ NAD 0.000004505 0.56641 12.0438
462 4II2 ATP 0.0003875 0.46395 12.0482
463 2HMT NAI 0.0001089 0.48337 12.5
464 1LUA NAP 0.0003459 0.46608 12.892
465 4YCA NDP 0.0001017 0.46826 13.2653
466 1DIG NAP 0.001607 0.40443 13.3987
467 1WDK NAD 0.000013 0.51764 13.6499
468 2C29 NAP 0.00341 0.40255 13.9466
469 4XDY NAI 0.001406 0.42309 14.2433
470 3H8V ATP 0.00003215 0.52141 14.726
471 1JG3 ADN 0.0124 0.4045 14.8936
472 5L95 AMP 0.0002957 0.47336 15.4122
473 1RZ1 NAD 0.01823 0.41689 16.7702
474 1R37 NAD 0.0008131 0.429 17.5793
475 1LC3 NAD 0.0000008151 0.46661 17.6871
476 2IXB NAD 0.0000001984 0.55139 18.1009
477 2IXB A2G 0.0000001176 0.51288 18.1009
478 2F5Z FAD 0.001704 0.42666 18.75
479 1RYD NDP 0.00000772 0.46267 18.9911
480 1H6C NDP 0.000009722 0.46017 18.9911
481 1H6C SIN 0.0000101 0.4486 18.9911
482 3B1J NAD 0.00004379 0.47122 20
483 1DRV A3D 0.001394 0.43622 22.7106
484 1ZH8 NAP 0.0000001317 0.55502 22.8487
485 5OFW 9TW 0.01401 0.4292 22.87
486 1JAY NAP 0.0007473 0.44776 24.5283
487 3O9Z NAD 0.0000001173 0.47819 25.3205
488 3O9Z AKG 0.0000002998 0.47201 25.3205
489 5N53 8NB 0.008809 0.44006 25.641
490 3Q2K HP7 0.009733 0.42362 26.4095
491 5A04 NDP 0.000001491 0.42062 28.7834
492 5A04 BGC 0.000002005 0.40406 28.7834
493 1LSS NAD 0.00007544 0.49479 30.7143
494 3RC1 NAP 0.00003223 0.44203 31.7507
495 3RC1 TLO 0.0001113 0.43783 31.7507
496 4KOA NDP 0.0000003619 0.61689 45.6456
497 2GLX NDP 0.0000004148 0.57417 46.988
Pocket No.: 2; Query (leader) PDB : 4L8V; 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: 4l8v.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4L8V; 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: 4l8v.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4L8V; 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: 4l8v.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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