Receptor
PDB id Resolution Class Description Source Keywords
1L7E 1.9 Å EC: 1.6.1.1 CRYSTAL STRUCTURE OF R. RUBRUM TRANSHYDROGENASE DOMAIN I WITH BOUND NADH RHODOSPIRILLUM RUBRUM TRANSHYDROGENASE DOMAIN I WITH NADH BOUND OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF TRANSHYDROGENASE DOMAIN I WITH AND WITHOUT BOUND NADH BIOCHEMISTRY V. 41 12745 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAI A:701;
D:702;
Valid;
Valid;
none;
none;
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665.441 C21 H29 N7 O14 P2 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1L7E 1.9 Å EC: 1.6.1.1 CRYSTAL STRUCTURE OF R. RUBRUM TRANSHYDROGENASE DOMAIN I WITH BOUND NADH RHODOSPIRILLUM RUBRUM TRANSHYDROGENASE DOMAIN I WITH NADH BOUND OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF TRANSHYDROGENASE DOMAIN I WITH AND WITHOUT BOUND NADH BIOCHEMISTRY V. 41 12745 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1L7E - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1L7E - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1X14 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1X15 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1L7E - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAI; Similar ligands found: 249
No: Ligand ECFP6 Tc MDL keys Tc
1 NAI 1 1
2 0WD 0.814815 0.986842
3 NDP 0.803738 0.986842
4 AP0 0.743119 0.961039
5 NMN AMP PO4 0.704348 0.960526
6 NAX 0.663717 0.961538
7 A2D 0.659574 0.933333
8 6V0 0.649123 0.986842
9 TXE 0.62931 0.948052
10 BA3 0.628866 0.933333
11 AP5 0.622449 0.933333
12 B4P 0.622449 0.933333
13 TXD 0.62069 0.923077
14 APR 0.613861 0.907895
15 AR6 0.613861 0.907895
16 EAD 0.609375 0.961538
17 AGS 0.607843 0.8625
18 SAP 0.607843 0.8625
19 ADP 0.606061 0.907895
20 ATP 0.60396 0.907895
21 50T 0.60396 0.871795
22 AN2 0.6 0.896104
23 A22 0.598131 0.921053
24 5FA 0.598039 0.907895
25 AQP 0.598039 0.907895
26 CA0 0.594059 0.909091
27 M33 0.594059 0.896104
28 AD9 0.592233 0.884615
29 NAJ PZO 0.592 0.935897
30 P1H 0.590909 0.9375
31 ACP 0.588235 0.884615
32 A1R 0.587156 0.851852
33 4AD 0.587156 0.886076
34 PRX 0.582524 0.8375
35 ANP 0.580952 0.884615
36 3OD 0.580357 0.909091
37 SRP 0.579439 0.873418
38 ADX 0.578431 0.821429
39 OAD 0.576577 0.909091
40 5AL 0.575472 0.896104
41 ADJ 0.569106 0.890244
42 UP5 0.566667 0.960526
43 ACQ 0.566038 0.884615
44 AMP 0.561224 0.881579
45 A 0.561224 0.881579
46 ATF 0.555556 0.873418
47 8QN 0.54955 0.896104
48 25L 0.547826 0.921053
49 4TC 0.544715 0.935897
50 ADQ 0.544643 0.909091
51 PAJ 0.544643 0.853659
52 AMO 0.544643 0.897436
53 ABM 0.544554 0.858974
54 NPW 0.544 0.949367
55 WAQ 0.54386 0.851852
56 PR8 0.54386 0.821429
57 LAD 0.54386 0.831325
58 DG1 0.541353 0.986842
59 1DG 0.541353 0.986842
60 00A 0.539823 0.875
61 NZQ 0.539683 0.974026
62 1ZZ 0.53913 0.811765
63 BIS 0.53913 0.851852
64 APC 0.537736 0.873418
65 OMR 0.536585 0.823529
66 5SV 0.535714 0.797619
67 OOB 0.535714 0.921053
68 25A 0.535714 0.907895
69 3UK 0.535088 0.909091
70 AMP MG 0.534653 0.835443
71 AP2 0.533981 0.873418
72 A12 0.533981 0.873418
73 NXX 0.528455 0.922078
74 DND 0.528455 0.922078
75 CNA 0.527559 0.922078
76 AHX 0.526316 0.864198
77 DLL 0.526316 0.921053
78 FYA 0.525862 0.871795
79 NB8 0.525862 0.864198
80 ME8 0.525862 0.811765
81 PTJ 0.525862 0.841463
82 YAP 0.525424 0.886076
83 SRA 0.524752 0.8375
84 SON 0.52381 0.873418
85 TAT 0.522936 0.873418
86 VO4 ADP 0.522523 0.871795
87 ADP VO4 0.522523 0.871795
88 48N 0.520325 0.864198
89 YLP 0.520325 0.793103
90 YLB 0.52 0.793103
91 AU1 0.518868 0.884615
92 ADP MG 0.518868 0.848101
93 ADP PO3 0.518519 0.881579
94 9SN 0.516949 0.864198
95 BEF ADP 0.514019 0.82716
96 ADP BEF 0.514019 0.82716
97 ATP MG 0.513761 0.848101
98 TXA 0.512821 0.897436
99 FA5 0.512605 0.897436
100 GAP 0.509091 0.860759
101 4UU 0.508197 0.960526
102 YLC 0.507937 0.833333
103 T5A 0.507812 0.925926
104 RBY 0.504587 0.873418
105 ADV 0.504587 0.873418
106 4UW 0.504 0.924051
107 TXP 0.503876 0.911392
108 DAL AMP 0.5 0.871795
109 ALF ADP 0.5 0.817073
110 G3A 0.5 0.8875
111 TYM 0.5 0.897436
112 ADP ALF 0.5 0.817073
113 LAQ 0.5 0.811765
114 COD 0.496183 0.786517
115 YLA 0.496124 0.813953
116 139 0.496124 0.9125
117 AFH 0.495935 0.853659
118 G5P 0.495935 0.8875
119 XAH 0.495868 0.811765
120 ANP MG 0.495575 0.839506
121 BT5 0.492424 0.784091
122 AYB 0.492308 0.784091
123 A4P 0.492188 0.880952
124 GTA 0.491935 0.855422
125 4UV 0.491803 0.960526
126 A2R 0.491228 0.896104
127 MAP 0.486957 0.8625
128 XNP 0.484848 0.936709
129 NAD 0.484848 0.921053
130 UPA 0.484375 0.948052
131 7MD 0.483871 0.833333
132 MYR AMP 0.483333 0.790698
133 NA7 0.483051 0.873418
134 YLY 0.477941 0.784091
135 ATR 0.477477 0.881579
136 LA8 ALF 3PG 0.476562 0.809524
137 ALF ADP 3PG 0.476562 0.809524
138 AOC 0.47619 0.792208
139 ATP A A A 0.47541 0.894737
140 BTX 0.473684 0.793103
141 5AS 0.472222 0.736264
142 TYR AMP 0.471545 0.873418
143 NAQ 0.471014 0.864198
144 ADP BMA 0.470588 0.884615
145 N0B 0.467626 0.835294
146 A A 0.466667 0.883117
147 A3D 0.466667 0.909091
148 NJP 0.466165 0.910256
149 IOT 0.465649 0.784091
150 AF3 ADP 3PG 0.465116 0.809524
151 PAP 0.464286 0.894737
152 NAE 0.463768 0.886076
153 7MC 0.461538 0.813953
154 DZD 0.459259 0.876543
155 ZID 0.457143 0.909091
156 TAD 0.456693 0.853659
157 2A5 0.455357 0.8375
158 62F 0.453947 0.833333
159 AHZ 0.453125 0.790698
160 FB0 0.452055 0.76087
161 JB6 0.45082 0.851852
162 ITT 0.45045 0.857143
163 7D4 0.45045 0.825
164 LPA AMP 0.449612 0.790698
165 G5A 0.447368 0.755556
166 M24 0.446043 0.843373
167 AVV 0.445378 0.841463
168 NAD IBO 0.444444 0.8625
169 NDC 0.442177 0.864198
170 ARG AMP 0.44186 0.781609
171 NSS 0.441667 0.775281
172 4TA 0.441176 0.890244
173 VMS 0.440678 0.764045
174 54H 0.440678 0.764045
175 7D3 0.440367 0.825
176 5CD 0.44 0.753247
177 PPS 0.439655 0.8
178 RAB 0.438776 0.789474
179 ADN 0.438776 0.789474
180 XYA 0.438776 0.789474
181 NDE 0.438356 0.897436
182 AR6 AR6 0.4375 0.883117
183 TSB 0.436975 0.793103
184 53H 0.436975 0.755556
185 DTA 0.436893 0.759494
186 A3P 0.436364 0.881579
187 A2P 0.436364 0.868421
188 A5A 0.435897 0.781609
189 FNK 0.435065 0.840909
190 ODP 0.433824 0.924051
191 SFG 0.433628 0.725
192 Z5A 0.433566 0.858824
193 6FA 0.433333 0.835294
194 SSA 0.432203 0.775281
195 J7C 0.431193 0.702381
196 DTP 0.431034 0.825
197 P5A 0.430894 0.723404
198 5N5 0.43 0.766234
199 DSZ 0.429752 0.775281
200 LSS 0.429752 0.73913
201 NAJ PYZ 0.429577 0.843373
202 52H 0.428571 0.755556
203 SFD 0.427632 0.731959
204 6AD 0.42735 0.831325
205 EP4 0.427184 0.707317
206 FDA 0.426667 0.870588
207 ARU 0.42623 0.788235
208 NVA LMS 0.42623 0.73913
209 6RE 0.425926 0.694118
210 A4D 0.425743 0.766234
211 5CA 0.425 0.775281
212 3DH 0.424528 0.725
213 AV2 0.423729 0.835443
214 LEU LMS 0.422764 0.73913
215 AMP DBH 0.421875 0.860759
216 DAT 0.421053 0.825
217 5X8 0.421053 0.7375
218 GSU 0.419355 0.755556
219 MTA 0.419048 0.725
220 3AT 0.418803 0.883117
221 DCA 0.41844 0.777778
222 ETB 0.41844 0.786517
223 FAS 0.418301 0.845238
224 FAD 0.418301 0.845238
225 A3N 0.418182 0.759494
226 F2N 0.417178 0.850575
227 7D5 0.415094 0.8
228 A U 0.414815 0.910256
229 YSA 0.414062 0.775281
230 NAD BBN 0.412903 0.835294
231 0T1 0.412587 0.777778
232 2AM 0.411215 0.857143
233 M2T 0.409524 0.690476
234 KAA 0.408 0.731183
235 7C5 0.407692 0.790123
236 3AM 0.407407 0.844156
237 AMP NAD 0.406897 0.873418
238 NAP 0.406897 0.909091
239 PUA 0.405594 0.9
240 FAY 0.405063 0.855422
241 P5F 0.404908 0.83908
242 EEM 0.403361 0.670455
243 COA 0.402778 0.777778
244 RFL 0.402516 0.816092
245 GJV 0.401786 0.686047
246 SA8 0.401709 0.686047
247 U A C C 0.401408 0.898734
248 G A A A 0.4 0.841463
249 WSA 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1L7E; Ligand: NAI; Similar sites found: 347
This union binding pocket(no: 1) in the query (biounit: 1l7e.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RSL FAD 0.0003591 0.46206 1.30208
2 3NDJ JHZ 0.007477 0.41612 1.30208
3 5T67 JHZ 0.007712 0.41467 1.30208
4 1KEW NAD 0.008642 0.41661 1.38504
5 1KEW TYD 0.009425 0.41417 1.38504
6 1X7D NAD 0.00007692 0.4438 1.42857
7 5J60 FAD 0.0009185 0.44955 1.5625
8 3ICS ADP 0.0005586 0.47667 1.82292
9 5G3U FDA 0.0003596 0.46454 1.82292
10 1ELI PYC 0.0005931 0.45534 1.82292
11 5BUK FAD 0.001214 0.44853 1.82292
12 4EIP FAD 0.001591 0.44536 1.82292
13 4EIP K2C 0.001591 0.44536 1.82292
14 3T31 FAD 0.003678 0.43532 1.82292
15 3T31 DCQ 0.003979 0.43532 1.82292
16 3ICR FAD 0.003435 0.42192 1.82292
17 3ICT FAD 0.004312 0.41775 1.82292
18 4TQG NDP 0.004205 0.40843 1.85759
19 4M26 AKG 0.03547 0.40218 1.92308
20 4D3F NAP 0.001214 0.41487 1.93548
21 2Q2V NAD 0.005063 0.41025 1.96078
22 1ORR NAD 0.008192 0.40153 2.01729
23 1R6D NAD 0.004213 0.43194 2.07715
24 1R6D DAU 0.006354 0.42327 2.07715
25 4Z24 FAD 0.0004036 0.46703 2.08333
26 3S5W FAD 0.0003452 0.45587 2.08333
27 2RGJ FAD 0.0001266 0.42067 2.08333
28 2NAD NAD 0.003641 0.41859 2.08333
29 4J1Q NDP 0.004311 0.40658 2.08333
30 4HXY NDP 0.005533 0.40617 2.08333
31 1RYI FAD 0.0007584 0.4542 2.09424
32 3BAZ NAP 0.003071 0.40271 2.1021
33 1J0X NAD 0.004078 0.42485 2.10843
34 1HDG NAD 0.002533 0.40569 2.10843
35 1LSS NAD 0.00007503 0.48584 2.14286
36 1TDF NAP 0.008408 0.42854 2.21519
37 1TDF FAD 0.003904 0.42841 2.21519
38 2YY7 NAD 0.001457 0.43009 2.24359
39 1HYH NAD 0.0002457 0.4151 2.26537
40 4J4H NAI 0.000766 0.45915 2.3166
41 4J4H 1J1 0.000766 0.45915 2.3166
42 4JK3 NAD 0.0002542 0.45489 2.3166
43 4J36 1HR 0.0002552 0.47669 2.34375
44 4J36 FAD 0.0001461 0.47428 2.34375
45 1MO9 KPC 0.001382 0.46923 2.34375
46 1MO9 FAD 0.001352 0.4691 2.34375
47 3GDN HBX 0.001295 0.45286 2.34375
48 3GDN FAD 0.0008634 0.45286 2.34375
49 4RPL FAD 0.006482 0.42998 2.34375
50 4D7E FAD 0.003215 0.42201 2.34375
51 4RPL 3UC 0.01234 0.41916 2.34375
52 5J7X FAD 0.007302 0.4091 2.34375
53 2Q1S NAI 0.003161 0.42962 2.38727
54 5UAO FAD 0.004914 0.41641 2.40296
55 3B1F NAD 0.00006399 0.48409 2.41379
56 2CVZ NDP 0.001145 0.41397 2.42215
57 1WP4 NDP 0.001038 0.41024 2.42215
58 5THQ NDP 0.006776 0.40126 2.57353
59 4K28 NAD 0.0007844 0.42564 2.60223
60 5EZ7 FAD 0.000498 0.45974 2.60417
61 4PIV NDP 0.0007496 0.44199 2.60417
62 3MJE NDP 0.005259 0.40579 2.60417
63 4RQU NAD 0.0007446 0.40964 2.66667
64 3CMC NAD 0.01552 0.41403 2.69461
65 1DSS NAD 0.001444 0.41535 2.7027
66 1CER NAD 0.002562 0.40001 2.71903
67 1GAD NAD 0.003161 0.4106 2.72727
68 1LDM NAD 0.0003616 0.41536 2.73556
69 5ITV NAI 0.006493 0.4033 2.7451
70 4YAG NAI 0.001647 0.44081 2.76817
71 2A92 NAI 0.00002339 0.44503 2.80374
72 1LTH NAD 0.0001556 0.45983 2.82132
73 5MZI FAD 0.0003659 0.48307 2.86458
74 5MZI FYK 0.0003815 0.48307 2.86458
75 1FEC FAD 0.0005375 0.46583 2.86458
76 2RGO FAD 0.0003939 0.46164 2.86458
77 1P31 EPU 0.0005729 0.45676 2.86458
78 1GET FAD 0.001957 0.45481 2.86458
79 1GET NAP 0.002093 0.45481 2.86458
80 1P3D UMA 0.0008209 0.41946 2.86458
81 5MQ6 NDP 0.002778 0.4128 2.86458
82 2O4C NAD 0.001617 0.42822 2.89474
83 1ZH8 NAP 0.002549 0.41587 2.94118
84 1DXY NAD 0.0003504 0.44925 3.003
85 1P1C SAH 0.001837 0.42013 3.01508
86 3CBG SAH 0.001373 0.44412 3.01724
87 5LD5 NAD 0.001948 0.41134 3.07263
88 5JY6 NAD 0.01368 0.40705 3.08989
89 1E7S NAP 0.006403 0.40479 3.11526
90 1REO FAD 0.000167 0.47991 3.125
91 1E1M FAD 0.001644 0.44999 3.125
92 4MIG G3F 0.002066 0.44222 3.125
93 1UWK NAD 0.001815 0.44194 3.125
94 2NVK NAP 0.01639 0.41805 3.125
95 4YMZ 13P 0.02255 0.40658 3.18725
96 2JHF NAD 0.01029 0.44541 3.20856
97 3WV8 ATP 0.0008464 0.41177 3.21101
98 4MP8 NAD 0.002453 0.4281 3.24484
99 1I0Z NAI 0.0004352 0.41262 3.3033
100 5JE8 NAD 0.0001792 0.45046 3.31126
101 1V6A TRE 0.000001718 0.63257 3.31325
102 4USR FAD 0.001145 0.43711 3.3241
103 1SOW NAD 0.0001016 0.47932 3.35366
104 5HSA FAS 0.0003382 0.4692 3.38542
105 3OJO NAD 0.00021 0.45855 3.38542
106 3L9W AMP 0.0003324 0.45655 3.38542
107 3L9W GSH 0.0002941 0.45564 3.38542
108 4YNU FAD 0.0009845 0.45245 3.38542
109 2V3A FAD 0.001009 0.44557 3.38542
110 2FZW NAD 0.0009685 0.45175 3.48525
111 3GGO ENO 0.0002299 0.47637 3.50318
112 1HYE NAP 0.004187 0.40552 3.51438
113 5JCA NDP 0.00402 0.43798 3.52113
114 5JCA FAD 0.001982 0.43736 3.52113
115 1NVM NAD 0.0003374 0.40092 3.52564
116 4E13 NAD 0.001002 0.41327 3.53357
117 3B20 NAD 0.005303 0.40001 3.53982
118 5VKT NAP 0.006615 0.40169 3.59116
119 2IZ1 ATR 0.00006536 0.55143 3.64583
120 2R4J 13P 0.0008499 0.46177 3.64583
121 2CDU FAD 0.001143 0.44092 3.64583
122 2CDU ADP 0.000193 0.4223 3.64583
123 1VJT NAD 0.003096 0.42079 3.64583
124 5UAV TFB 0.00278 0.42467 3.72671
125 5UAV NDP 0.00278 0.42467 3.72671
126 1CDO NAD 0.001184 0.41347 3.74332
127 1V59 FAD 0.0007436 0.45872 3.76569
128 2HNK SAH 0.002315 0.4227 3.76569
129 1V59 NAD 0.00008665 0.41856 3.76569
130 2DTX BMA 0.00682 0.41138 3.78788
131 4MO2 FDA 0.004111 0.41862 3.80435
132 1CF2 NAP 0.004184 0.40566 3.85757
133 3KB6 NAD 0.0006809 0.41624 3.89222
134 4PLG NAI 0.00003203 0.41404 3.89222
135 4CNK FAD 0.00008138 0.49187 3.90625
136 2XVE FAD 0.001686 0.45419 3.90625
137 5JCM ISD 0.00221 0.45175 3.90625
138 5JCM FAD 0.002134 0.45175 3.90625
139 5JCM NAD 0.00221 0.45175 3.90625
140 1X87 NAD 0.0003965 0.43837 3.90625
141 1O0S NAI 0.00106 0.42987 3.90625
142 1U8X NAD 0.0005658 0.42559 3.90625
143 3Q9T FAY 0.003021 0.42537 3.90625
144 2G5C NAD 0.0001246 0.43123 3.91459
145 3SSO SAH 0.002464 0.42155 4.05728
146 5D4V SAH 0.0003039 0.43816 4.10448
147 3ITJ CIT 0.01562 0.40197 4.14201
148 4TXI FAD 0.0001372 0.47392 4.16667
149 2BRY FAD 0.0002032 0.46832 4.16667
150 5EB4 FAD 0.0006594 0.45569 4.16667
151 4BV6 FAD 0.0009225 0.45056 4.16667
152 5U8U FAD 0.01393 0.41556 4.16667
153 4GKV NAD 0.0001253 0.41063 4.16667
154 3H4V DVP 0.009174 0.40874 4.16667
155 3H4V NAP 0.01223 0.40244 4.16667
156 2QA1 FAD 0.0002799 0.40049 4.16667
157 4BVA NDP 0.004124 0.41145 4.1791
158 4BVA T3 0.006901 0.41015 4.1791
159 4REP FAD 0.0008626 0.44959 4.24242
160 4NBW NAD 0.004057 0.40766 4.28016
161 3GFB NAD 0.001202 0.40777 4.28571
162 1MXH DHF 0.004814 0.41679 4.34783
163 1MXH NAP 0.004984 0.41615 4.34783
164 1KYQ NAD 0.001395 0.44381 4.37956
165 3CTY FAD 0.0005565 0.46315 4.38871
166 1YKJ PHB 0.001046 0.46496 4.42708
167 1YKJ FAD 0.001046 0.46496 4.42708
168 1LVL NAD 0.000887 0.44037 4.42708
169 4K5S FAD 0.0003965 0.40206 4.42708
170 4XB2 HSE 0.00201 0.42566 4.47761
171 4XB2 NDP 0.0008377 0.42566 4.47761
172 3VYW SAM 0.005939 0.40532 4.54545
173 3H9E NAD 0.00173 0.40689 4.62428
174 2FKA BEF 0.01028 0.43907 4.65116
175 3NT6 FAD 0.0051 0.41572 4.6875
176 3H8V ATP 0.0001224 0.48636 4.79452
177 2PZM NAD 0.001423 0.44455 4.84848
178 2PZM UDP 0.001423 0.44455 4.84848
179 5EOW FAD 0.0007983 0.44495 4.94792
180 2YVF FAD 0.002989 0.44306 4.94792
181 2YVF NAD 0.003099 0.44306 4.94792
182 3NTD FAD 0.003969 0.42035 4.94792
183 1EJ0 SAM 0.001286 0.44126 5
184 4L8V NAP 0.0008144 0.43906 5.04451
185 1BW9 NAD 0.0003062 0.45583 5.05618
186 1BXG NAD 0.0008242 0.43422 5.05618
187 1C1X NAD 0.0004211 0.42924 5.07042
188 5O4J SAH 0.001069 0.43965 5.10949
189 5O4J 9KH 0.001069 0.43965 5.10949
190 5O4J PJL 0.001387 0.43365 5.10949
191 5N53 8NB 0.008582 0.43381 5.12821
192 1AE1 NAP 0.005472 0.40884 5.12821
193 5E8J SAH 0.01205 0.40844 5.12821
194 1PZG A3D 0.00005419 0.40846 5.13595
195 1GUZ NAD 0.0002856 0.45616 5.16129
196 1RSG FAD 0.0003294 0.47082 5.20833
197 1YY5 FAD 0.0005414 0.46367 5.20833
198 5KMS NAD 0.003816 0.43686 5.20833
199 5KMS FAD 0.001736 0.43328 5.20833
200 1UP7 NAD 0.001348 0.42397 5.20833
201 3AXB FAD 0.0001049 0.40312 5.20833
202 1OMO NAD 0.00003998 0.48345 5.2795
203 4IF4 BEF 0.005895 0.44544 5.28846
204 1EZ4 NAD 0.0002189 0.45752 5.34591
205 1LDN NAD 0.0002343 0.46281 5.37975
206 2AE2 PTO 0.007664 0.4102 5.38462
207 2AE2 NAP 0.007664 0.4102 5.38462
208 1I8T FAD 0.005347 0.41589 5.44959
209 1E6E FAD 0.0005211 0.45527 5.46875
210 1GV0 NAD 0.0003103 0.45626 5.48387
211 2HJR APR 0.00003734 0.48913 5.4878
212 2YVJ NAI 0.001295 0.44112 5.50459
213 5JDC NAP 0.003429 0.41205 5.55556
214 5JDI NAP 0.003513 0.41162 5.55556
215 4CLR NAP 0.003835 0.41006 5.55556
216 4CME NAP 0.005047 0.40518 5.55556
217 5K6A NAP 0.005539 0.40486 5.55556
218 4CM9 NAP 0.005658 0.40448 5.55556
219 1SB8 NAD 0.01053 0.41046 5.68182
220 1SB8 UD2 0.01238 0.41046 5.68182
221 2GAG NAD 0.0006182 0.45338 5.71429
222 2GAG FOA 0.004212 0.42608 5.71429
223 2GAG FAD 0.004212 0.42608 5.71429
224 1EDO NAP 0.006018 0.40591 5.7377
225 2RBK VN4 0.007557 0.43362 5.74713
226 1UAY ADN 0.001426 0.45223 5.78512
227 1ZQ9 SAM 0.0046 0.41679 5.96491
228 4NTC FAD 0.0004789 0.46274 5.97015
229 2VZ0 D64 0.0118 0.42455 5.97015
230 2VZ0 NAP 0.0118 0.42455 5.97015
231 2WD7 NAP 0.003286 0.41281 5.97015
232 2DBZ NAP 0.002098 0.42078 5.98802
233 4KOA NDP 0.00236 0.43349 6.00601
234 3QV1 NAD 0.004735 0.40199 6.09756
235 1PR9 NAP 0.004256 0.41339 6.14754
236 3D3W NAP 0.005623 0.40835 6.14754
237 1D1T NAD 0.0004331 0.40398 6.16622
238 1BZL FAD 0.001342 0.47631 6.25
239 2GVC FAD 0.0007021 0.44594 6.25
240 3FGZ BEF 0.01801 0.42364 6.25
241 5KKA 6V0 0.000126 0.47545 6.41026
242 1PL6 NAD 0.00007081 0.48691 6.46067
243 1PL6 572 0.000303 0.40802 6.46067
244 5MBX SP5 0.001182 0.45714 6.51042
245 5MBX FAD 0.001182 0.45714 6.51042
246 4ZGS NAD 0.000296 0.44865 6.51042
247 1OBB NAD 0.001179 0.42464 6.51042
248 4D79 ATP 0.0003493 0.41892 6.52174
249 3OID NDP 0.004459 0.41255 6.58915
250 3ZNN FAD 0.001921 0.44939 6.62824
251 3LAD FAD 0.000826 0.45368 6.77083
252 4AT0 FAD 0.001738 0.44461 6.77083
253 2HK9 ATR 0.0002815 0.49695 6.90909
254 2HK9 NAP 0.00236 0.40212 6.90909
255 1NFQ NAI 0.00743 0.40211 6.92308
256 2VT3 ATP 0.0000003962 0.48753 6.97674
257 2DC1 NAD 0.0007825 0.43673 7.20339
258 2EV9 SKM 0.002386 0.42257 7.22433
259 2EV9 NAP 0.002386 0.42257 7.22433
260 5FJN FAD 0.0006025 0.45956 7.29167
261 5FJN BE2 0.0007112 0.45956 7.29167
262 1N4W FAD 0.001923 0.43892 7.29167
263 1WDK NAD 0.00271 0.40605 7.29167
264 1EK6 UPG 0.01996 0.40337 7.47126
265 1A5Z NAD 0.00001594 0.50917 7.52351
266 9LDT NAD 0.00008713 0.48051 7.53012
267 9LDB NAD 0.00007859 0.4321 7.53012
268 3UCL FAD 0.0009287 0.46874 7.55208
269 3UCL CYH 0.0009287 0.46874 7.55208
270 3UCL NAP 0.001033 0.46874 7.55208
271 5TUK FAD 0.001168 0.41001 7.55208
272 5DN9 NAD 0.001164 0.43681 7.69231
273 1P77 ATR 0.0000239 0.56567 7.72059
274 2DFV NAD 0.001087 0.40982 7.78098
275 1ZMD NAI 0.001111 0.4197 7.8125
276 4II2 ATP 0.0002413 0.46434 8.07292
277 4USQ FAD 0.0006719 0.44807 8.31025
278 3AD8 NAD 0.0006593 0.44841 8.33333
279 3AD8 FAD 0.004968 0.4365 8.33333
280 3AD8 PYC 0.004968 0.4365 8.33333
281 3WQQ IB3 0.0113 0.40392 8.33333
282 4KP7 NAP 0.01678 0.40159 8.33333
283 3CIF G3H 0.004387 0.4152 8.35655
284 3CIF NAD 0.003038 0.4142 8.35655
285 1ZK4 NAP 0.006189 0.41003 8.36653
286 1Y8Q ATP 0.0003602 0.44524 8.3815
287 1ZEM NAD 0.002539 0.40072 8.39695
288 1J5P NAD 0.0008209 0.41323 8.69565
289 1DJN ADP 0.0002557 0.45506 8.85417
290 4X9M FAD 0.0007469 0.45338 8.85417
291 1Q9I TEO 0.005263 0.42991 8.85417
292 2DT5 NAD 0.0001242 0.43614 9.00474
293 2XYQ SAH 0.0008122 0.45007 9.31034
294 2F1K NAP 0.0008192 0.4187 9.319
295 4BI7 PGA 0.02989 0.4003 9.33852
296 2WPF FAD 0.001788 0.46995 9.375
297 3EGV SAH 0.01094 0.40339 9.52381
298 3IHG FAD 0.0005472 0.41691 9.63542
299 3GEG NAD 0.001562 0.42453 9.7166
300 2YYY NAP 0.004885 0.40576 9.91254
301 3RKR NAP 0.006904 0.42823 9.92366
302 3VPH NAD 0.00005017 0.42811 10
303 3VPH OXM 0.00009268 0.40996 10
304 4TM3 FAD 0.00285 0.44873 10.6771
305 1MV8 NAD 0.0002837 0.43638 10.6771
306 1MUU NAD 0.0007848 0.42554 10.6771
307 1O6Z NAD 0.001186 0.42453 10.8911
308 2F5Z FAD 0.00136 0.4464 10.9375
309 4RDH AMP 0.0001206 0.49713 11.1111
310 4RDI ATP 0.0002352 0.42597 11.1111
311 5KVA SAM 0.00143 0.41147 11.1511
312 3SQP FAD 0.01319 0.44655 11.1979
313 2AG8 NAP 0.00213 0.40138 11.4068
314 1J49 NAD 0.0003885 0.41931 11.4114
315 1L1E SAH 0.008056 0.40601 11.4983
316 4YSX FAD 0.0009461 0.449 11.5385
317 2HMT NAI 0.0004474 0.44898 11.8056
318 5U5G NAP 0.003023 0.41429 11.8644
319 3UOY FAD 0.002479 0.45083 11.9792
320 3UOY NAP 0.002479 0.45083 11.9792
321 1F8F NAD 0.0003509 0.43878 12.1294
322 4YRY FAD 0.001445 0.44325 12.6812
323 4YRY NAD 0.002346 0.44317 12.6812
324 3F8D FAD 0.008531 0.42825 13.0031
325 2VVM FAD 0.001005 0.44788 13.2812
326 4UP3 FAD 0.01128 0.40302 13.3758
327 1RP0 AHZ 0.0007965 0.4423 13.3803
328 2DKH 3HB 0.0001723 0.47933 14.0625
329 2DKH FAD 0.0002203 0.46686 14.0625
330 4E5N NAD 0.0006641 0.40207 14.5455
331 1JNR FAD 0.0009395 0.47391 14.6667
332 1R37 NAD 0.006912 0.40578 14.9856
333 1PS9 FAD 0.001834 0.43778 15.1042
334 1PS9 NAP 0.002631 0.41382 15.1042
335 3WLE NAD 0.001295 0.43863 15.2493
336 3OND ADN 0.0002844 0.47885 15.625
337 2Z77 NCA 0.03158 0.40307 16.5468
338 1O94 ADP 0.0004275 0.44227 17.8125
339 5M67 ADE 0.0004829 0.4698 20.5729
340 5M67 3D1 0.0005259 0.46818 20.5729
341 5M67 NAD 0.0006163 0.46517 20.5729
342 4Q3F TLA 0.04704 0.40579 21.3675
343 5L95 AMP 0.0001053 0.44515 23.75
344 3NJ4 AFX 0.0006739 0.49806 27.3438
345 3NJ4 NAD 0.0007271 0.49648 27.3438
346 2VHW NAI 0.00002617 0.50989 38.7268
347 1SAY PYR 0.0003573 0.45952 49.0305
Pocket No.: 2; Query (leader) PDB : 1L7E; Ligand: NAI; Similar sites found: 38
This union binding pocket(no: 2) in the query (biounit: 1l7e.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CGD FAD 0.0365 0.40447 1.5625
2 3CGD COA 0.0365 0.40447 1.5625
3 3EF0 ALF 0.02529 0.40428 1.6129
4 1K3T BRZ 0.006736 0.40786 1.67131
5 5G3U ITW 0.001029 0.45502 1.82292
6 2AQJ FAD 0.004454 0.4375 1.82292
7 2AQJ TRP 0.006927 0.42808 1.82292
8 2Q1W NAD 0.0003408 0.40451 2.1021
9 5LOG SAH 0.00113 0.4117 2.14592
10 4W6Z 8ID 0.00859 0.40673 2.30548
11 4K6B GLU 0.0243 0.40762 2.48447
12 1BXK NAD 0.004482 0.41021 2.53521
13 4EUE NAI 0.008458 0.40248 2.60417
14 1PN0 FAD 0.0002334 0.48648 2.86458
15 1PN0 IPH 0.0002458 0.48648 2.86458
16 3LXD FAD 0.001021 0.44515 3.125
17 1EBF NAD 0.004177 0.40556 3.125
18 4YNU LGC 0.0008788 0.4619 3.38542
19 4D42 W0I 0.01691 0.40546 3.5461
20 4D42 NAP 0.01691 0.40546 3.5461
21 3DAG FEG 0.005349 0.40271 3.91061
22 2V3V MGD 0.02628 0.40868 4.16667
23 2BGM NAJ 0.005806 0.40272 4.31655
24 3R51 MMA 0.01227 0.40951 4.375
25 3G6N MET ALA SER 0.0301 0.40273 4.71204
26 1QO8 FAD 0.0003741 0.47218 5.20833
27 1D1Q 4NP 0.03131 0.40411 5.59006
28 3V1Y NAD 0.002047 0.40016 5.63798
29 3GRU AMP 0.00462 0.40216 5.76271
30 1PJS NAD 0.00102 0.40637 6.51042
31 2GOO NDG 0.02051 0.41728 7.01754
32 2V6G NAP 0.007489 0.40349 7.41758
33 4F8L AES 0.02801 0.40834 7.58621
34 5GT9 NAP 0.008107 0.40204 7.98479
35 2WPF WPF 0.001693 0.47577 9.375
36 5X20 NAD 0.005208 0.40319 10.5769
37 5JAQ NAI 0.009824 0.40728 11.1979
38 3HVJ 705 0.0125 0.40075 14.0271
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