Receptor
PDB id Resolution Class Description Source Keywords
4XQC 1.27 Å EC: 2.5.1.44 CRYSTAL STRUCTURE OF THE HOMOSPERMIDINE SYNTHASE (HSS) FROM BLASTOCHLORIS VIRIDIS IN COMPLEX WITH NAD AND 1,3-DIAMINOPR BLASTOCHLORIS VIRIDIS HOMOSPERMIDINE SYNTHASE OXIDOREDUCTASE TRANSFERASE ROSSMA1 3-DIAMINOPROPANE
Ref.: COMPREHENSIVE STRUCTURAL CHARACTERIZATION OF THE BA HOMOSPERMIDINE SYNTHASE-AN ESSENTIAL ENZYME OF THE METABOLISM. SCI REP V. 6 19501 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
ACT A:506;
A:507;
B:503;
A:505;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
13D A:503;
A:502;
Valid;
Valid;
none;
none;
submit data
74.125 C3 H10 N2 C(CN)...
1PS B:502;
A:504;
Invalid;
Invalid;
none;
none;
submit data
201.243 C8 H11 N O3 S c1cc[...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XQC 1.27 Å EC: 2.5.1.44 CRYSTAL STRUCTURE OF THE HOMOSPERMIDINE SYNTHASE (HSS) FROM BLASTOCHLORIS VIRIDIS IN COMPLEX WITH NAD AND 1,3-DIAMINOPR BLASTOCHLORIS VIRIDIS HOMOSPERMIDINE SYNTHASE OXIDOREDUCTASE TRANSFERASE ROSSMA1 3-DIAMINOPROPANE
Ref.: COMPREHENSIVE STRUCTURAL CHARACTERIZATION OF THE BA HOMOSPERMIDINE SYNTHASE-AN ESSENTIAL ENZYME OF THE METABOLISM. SCI REP V. 6 19501 2016
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4XQC - 13D C3 H10 N2 C(CN)CN
2 4XRG - AG2 C5 H14 N4 C(CCNC(=N)....
3 4XR4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 4XQ9 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4XQG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 4PLP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 4XQE - AG2 C5 H14 N4 C(CCNC(=N)....
8 4TVB - PUT C4 H12 N2 C(CCN)CN
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4XQC - 13D C3 H10 N2 C(CN)CN
2 4XRG - AG2 C5 H14 N4 C(CCNC(=N)....
3 4XR4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 4XQ9 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4XQG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 4PLP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 4XQE - AG2 C5 H14 N4 C(CCNC(=N)....
8 4TVB - PUT C4 H12 N2 C(CCN)CN
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4XQC - 13D C3 H10 N2 C(CN)CN
2 4XRG - AG2 C5 H14 N4 C(CCNC(=N)....
3 4XR4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 4XQ9 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4XQG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 4PLP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 4XQE - AG2 C5 H14 N4 C(CCNC(=N)....
8 4TVB - PUT C4 H12 N2 C(CCN)CN
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Ligand no: 2; Ligand: 13D; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 13D 1 1
2 PUT 0.666667 0.8
3 16D 0.545455 0.727273
4 N2P 0.545455 0.761905
5 DIA 0.5 0.727273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XQC; Ligand: 13D; Similar sites found: 432
This union binding pocket(no: 1) in the query (biounit: 4xqc.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PZG A3D 0.0001207 0.417 1.20846
2 4E5N NAD 0.000001233 0.45502 1.21212
3 2Y6Q FAD 0.00006918 0.40952 1.25628
4 2Y6Q I7T 0.001107 0.40493 1.25628
5 5JWC FAD 0.00002761 0.48134 1.26316
6 1H82 GZZ 0.001348 0.41292 1.27119
7 1H82 FAD 0.001609 0.40648 1.27119
8 1E5Q NDP 0.000000006796 0.64851 1.33333
9 1E5Q SHR 0.03433 0.40658 1.33333
10 3SQP FAD 0.007448 0.42045 1.46444
11 1OBB NAD 0.0009986 0.45219 1.47368
12 2HJR APR 0.000009263 0.40298 1.52439
13 4HXY NDP 0.00004875 0.41404 1.59817
14 2J5V PCA 0.02648 0.40056 1.63488
15 5G3U FDA 0.0003102 0.40612 1.65485
16 1W73 NAP 0.0002661 0.47699 1.65563
17 1K3T BRZ 0.00007786 0.41357 1.67131
18 1UWK NAD 0.00006525 0.44417 1.68421
19 1UWK URO 0.00006525 0.44417 1.68421
20 2IVD FAD 0.0004445 0.43426 1.68421
21 3CGB FAD 0.0004802 0.43056 1.68421
22 2WET FAD 0.0001121 0.42884 1.68421
23 3CV2 OXL 0.03125 0.41608 1.68421
24 3CGD COA 0.002667 0.41169 1.68421
25 3CGD FAD 0.002667 0.41169 1.68421
26 3CGD NAD 0.002667 0.41169 1.68421
27 3OZ2 FAD 0.001715 0.40447 1.68421
28 3FG2 FAD 0.0006799 0.43518 1.73267
29 4OPC PGT 0.001737 0.42964 1.766
30 4OPC FDA 0.002454 0.42085 1.766
31 3V1Y NAD 0.000004402 0.54407 1.78042
32 4L8V NAP 0.00001711 0.41949 1.78042
33 1U1I NAD 0.00004528 0.42258 1.78571
34 1Z82 NDP 0.006821 0.40837 1.79104
35 2GCG NDP 0.00006446 0.40296 1.81818
36 1ZBQ NAD 0.0004707 0.44404 1.83486
37 1Q8A HCS 0.03359 0.42243 1.89474
38 1LJ8 NAD 0.00685 0.4217 1.89474
39 2GMH FAD 0.0008204 0.41334 1.89474
40 3UOY NAP 0.001674 0.4132 1.89474
41 3UOY FAD 0.001674 0.4132 1.89474
42 3AYI HCI 0.0009823 0.41204 1.89474
43 3AYI FAD 0.001095 0.4096 1.89474
44 1M2W NAD 0.01117 0.40943 1.89474
45 3GGO NAI 0.00008546 0.43209 1.91083
46 3GGO ENO 0.00008546 0.43209 1.91083
47 3BY9 SIN 0.03208 0.42517 1.92308
48 2YY7 NAD 0.00003408 0.41811 1.92308
49 3VPH OXM 0.00004328 0.42549 1.93548
50 3VPH NAD 0.00004027 0.42001 1.93548
51 5BVA FAD 0.0007476 0.40854 1.95599
52 2I3G NAP 0.0004099 0.44926 1.98864
53 1YKJ FAD 0.00298 0.40182 2.03046
54 1YKJ PHB 0.00298 0.40182 2.03046
55 1R6D DAU 0.0121 0.40153 2.07715
56 1R6D NAD 0.01288 0.40124 2.07715
57 2V3A FAD 0.000119 0.42081 2.08333
58 1QMG APX 0.000118 0.49635 2.10526
59 5TS5 FAD 0.0006698 0.41633 2.10526
60 3IHG FAD 0.0001025 0.40095 2.10526
61 2BRY FAD 0.0001851 0.40053 2.10526
62 2PZM NAD 0.0002239 0.42318 2.12121
63 2PZM UDP 0.0002239 0.42318 2.12121
64 2G5C NAD 0.00004749 0.4074 2.13523
65 1D1T NAD 0.00002777 0.49144 2.14477
66 1P0F NAP 0.00007334 0.41109 2.14477
67 2RAB NAD 0.001781 0.41159 2.15983
68 3OA2 NAD 0.00003441 0.49884 2.20126
69 2GV8 FAD 0.0001592 0.45617 2.23714
70 2GV8 NDP 0.001963 0.4395 2.23714
71 2GVC FAD 0.0001101 0.4087 2.23714
72 2VZ0 D64 0.005169 0.40093 2.23881
73 2VZ0 NAP 0.005169 0.40093 2.23881
74 1EQ2 NAP 0.000721 0.44251 2.25806
75 1GUZ NAD 0.00004 0.40644 2.25806
76 1EK6 UPG 0.0002205 0.43559 2.29885
77 1EK6 NAI 0.0003052 0.42906 2.29885
78 1OC2 TDX 0.0001333 0.40428 2.29885
79 1OC2 NAD 0.0001333 0.40428 2.29885
80 3ZNN FAD 0.0002848 0.43271 2.30548
81 3ZNN 4WL 0.0002848 0.43271 2.30548
82 4XYB NDP 0.00005065 0.47478 2.31579
83 2ZWA SAH 0.01151 0.41157 2.31579
84 1N4W FAD 0.001095 0.40101 2.31579
85 3A28 NAD 0.0006655 0.44389 2.32558
86 3QJ4 FAD 0.0008792 0.41885 2.33918
87 1GEG NAD 0.0003651 0.45426 2.34375
88 4XDY NAI 0.0002674 0.46963 2.36686
89 2C5A NAD 0.0002665 0.40062 2.37467
90 2C5A GDC 0.0002665 0.40062 2.37467
91 4BVA NDP 0.000007035 0.43675 2.38806
92 4BVA T3 0.0000486 0.43309 2.38806
93 1E1M NAP 0.001597 0.40497 2.3913
94 1E1M FAD 0.001597 0.40497 2.3913
95 1CER NAD 0.000003941 0.54607 2.41692
96 5BUK FAD 0.001275 0.40099 2.44444
97 1OMO NAD 0.000002946 0.42209 2.48447
98 1X14 NAD 0.0001873 0.5101 2.49377
99 1NAA 6FA 0.001148 0.4044 2.52632
100 1YB5 NAP 0.0008002 0.42992 2.5641
101 5AYV KPL 0.0000664 0.42064 2.589
102 1ORR NAD 0.00007107 0.41361 2.59366
103 1VL8 NAP 0.0005195 0.43962 2.62172
104 4J36 FAD 0.00003352 0.42224 2.6506
105 4J36 1HR 0.0002594 0.42121 2.6506
106 2PV7 NAD 0.0001517 0.47629 2.68456
107 5M67 ADE 0.00006249 0.44806 2.73684
108 5M67 3D1 0.00006572 0.44734 2.73684
109 5M67 NAD 0.00007967 0.44457 2.73684
110 4DPL NAP 0.00122 0.43341 2.73684
111 1MO9 FAD 0.002568 0.41284 2.73684
112 1MO9 KPC 0.003155 0.41022 2.73684
113 5WGR FAD 0.001942 0.40261 2.73684
114 2E5V FAD 0.0005083 0.41197 2.75424
115 2Q46 NAP 0.00009556 0.48092 2.7668
116 1KEW NAD 0.0001055 0.44257 2.77008
117 1KEW TYD 0.0003809 0.42307 2.77008
118 1NPD NAD 0.003035 0.43133 2.77778
119 4J7U YTZ 0.0004986 0.41008 2.77778
120 4J7U NAP 0.0004986 0.41008 2.77778
121 3ORF NAD 0.00005183 0.49165 2.78884
122 2NAD NAD 0.00002454 0.43281 2.79898
123 1F3L SAH 0.003009 0.43771 2.80374
124 5HJM MTA 0.02674 0.40022 2.84091
125 3SJU NDP 0.0006371 0.44176 2.86738
126 3GDH SAH 0.01368 0.40299 2.90456
127 4O0L NDP 0.0009049 0.43579 2.90909
128 1QO8 FAD 0.0004597 0.41118 2.94737
129 1COY FAD 0.0006785 0.40318 2.94737
130 5KMS NAD 0.0003687 0.42976 2.96296
131 2C29 NAP 0.001044 0.43895 2.96736
132 1XHC FAD 0.00008424 0.46052 2.99728
133 2GZ3 NAP 0.0005022 0.41814 3.00546
134 2VYN NAD 0.00002139 0.41712 3.02115
135 4ONQ SFG 0.02994 0.40061 3.08123
136 3F8D FAD 0.003648 0.40333 3.09598
137 1BXK NAD 0.00001316 0.41864 3.09859
138 4ZGS NAD 0.000001474 0.4271 3.10881
139 1X7D ORN 0.0000231 0.44075 3.14286
140 1X7D NAD 0.00002575 0.41476 3.14286
141 5HSA FAS 0.0007086 0.40236 3.15789
142 3G5S FAD 0.00008239 0.42317 3.16027
143 4ZRN NAD 0.00003677 0.47998 3.20513
144 4ZRN UPG 0.0001062 0.42315 3.20513
145 2JHF NAD 0.0003507 0.46431 3.20856
146 1U3U BNF 0.00006288 0.44856 3.20856
147 1U3U NAD 0.00006288 0.44856 3.20856
148 1SC6 NAD 0.00001503 0.42869 3.21782
149 2F1K NAP 0.00001811 0.40822 3.22581
150 5DOZ NDP 0.001469 0.42247 3.25444
151 1CF2 NAP 0.00001135 0.41635 3.2641
152 3EVG SAH 0.03064 0.40013 3.27273
153 1QAN SAH 0.005092 0.42748 3.27869
154 2YG3 FAD 0.001468 0.40679 3.31126
155 3QWI CUE 0.0005745 0.4088 3.33333
156 3UCL NAP 0.002069 0.41066 3.36842
157 3UCL CYH 0.003188 0.40217 3.36842
158 3UCL FAD 0.003188 0.40217 3.36842
159 3EGI ADP 0.001321 0.49937 3.39806
160 3U31 NAD 0.002493 0.44138 3.44828
161 2QZZ NAP 0.0002796 0.40858 3.45912
162 2QZZ EMF 0.0003265 0.40858 3.45912
163 3BGD SAH 0.007815 0.41628 3.46154
164 2AE2 PTO 0.0003348 0.41212 3.46154
165 2AE2 NAP 0.0003348 0.41212 3.46154
166 3BGD PM6 0.009526 0.40239 3.46154
167 5A04 BGC 0.002788 0.40211 3.53982
168 5A04 NDP 0.002195 0.40193 3.53982
169 2UYQ SAM 0.01654 0.43776 3.54839
170 5U8U FAD 0.0007337 0.4242 3.57895
171 2ZXI FAD 0.001042 0.4185 3.57895
172 2VVL FAD 0.0008093 0.41354 3.57895
173 2IID PHE 0.001954 0.40284 3.57895
174 2IID FAD 0.001954 0.40284 3.57895
175 2JAP NDP 0.0003446 0.45222 3.64372
176 2JAH NDP 0.0004219 0.44877 3.64372
177 1F8G NAD 0.0006777 0.46669 3.64583
178 2XVE FAD 0.0004858 0.42731 3.66379
179 2XVF FAD 0.0002569 0.40817 3.66379
180 2CVQ NDP 0.00009681 0.48069 3.66972
181 3WV8 ATP 0.0000002018 0.42519 3.66972
182 2Q7V FAD 0.000378 0.41146 3.69231
183 4K28 NAD 0.000001207 0.57274 3.71747
184 2PXX SAH 0.002925 0.44505 3.72093
185 3A06 FOM 0.0002498 0.40547 3.7234
186 3A06 NDP 0.0002071 0.40297 3.7234
187 2RGJ FAD 0.0001534 0.45975 3.73134
188 1Y8Q ATP 0.00002828 0.51902 3.78947
189 1LDN NAD 0.000008013 0.43289 3.79747
190 1U8X NAD 0.003068 0.42538 3.81356
191 3S5W FAD 0.00008193 0.40601 3.88769
192 3AB4 THR 0.03524 0.4127 3.93258
193 1XG5 NAP 0.00009751 0.4059 3.94265
194 5EOW FAD 0.0001302 0.40695 3.95062
195 5U7W ADE 0.03291 0.42408 3.99061
196 4RSL FAD 0.0003825 0.40029 4.04494
197 1F06 2NP 0.00005116 0.42383 4.0625
198 1F06 NDP 0.00005116 0.42383 4.0625
199 3ABI NAD 0.00000001788 0.50282 4.10959
200 3DXY SAM 0.002156 0.47198 4.12844
201 4YAG NAI 0.0005088 0.41015 4.15225
202 4RDH AMP 0.0000009085 0.62923 4.16667
203 1J49 NAD 0.000005816 0.43043 4.2042
204 4OOE NDP 0.0001774 0.47707 4.20792
205 1Q9I TEO 0.002633 0.40003 4.21053
206 1Q9I FAD 0.002633 0.40003 4.21053
207 2DT5 NAD 0.00001162 0.51789 4.2654
208 4OBW SAM 0.0197 0.40933 4.28016
209 1GY8 NAD 0.00002649 0.41863 4.28212
210 3WXB NDP 0.002066 0.42174 4.30108
211 5UAV NDP 0.00007291 0.42153 4.34783
212 5UAV TFB 0.00007291 0.42153 4.34783
213 4D79 ATP 0.0000005594 0.40866 4.34783
214 2CDC XYP 0.001026 0.41917 4.37158
215 2CDC XYS 0.001369 0.41484 4.37158
216 2CDC NAP 0.001369 0.41484 4.37158
217 1GZ6 NAI 0.001386 0.42853 4.38871
218 3KLJ FAD 0.00005478 0.41719 4.41558
219 5VN0 NAI 0.0004661 0.45955 4.44015
220 5VN0 FAD 0.0002179 0.44026 4.44015
221 3WMX NAD 0.00006793 0.49447 4.46927
222 3LRE ADP 0.03127 0.41528 4.50704
223 4TM3 FAD 0.0009367 0.42264 4.51467
224 1E3I CXF 0.00003528 0.47426 4.52128
225 2FZW NAD 0.0002849 0.42022 4.55764
226 3MQ2 SAH 0.03422 0.40062 4.58716
227 5EFC GTP 0.04694 0.41344 4.5977
228 5GZ6 NDP 0.00003086 0.53163 4.60123
229 5GZ6 7C3 0.00001888 0.53132 4.60123
230 5JCM ISD 0.0006112 0.42693 4.65632
231 5JCM FAD 0.0005817 0.42693 4.65632
232 5JCM NAD 0.0006112 0.42693 4.65632
233 1JNR FAD 0.0003384 0.44149 4.66667
234 5J60 FAD 0.0006078 0.40342 4.6875
235 1KYQ NAD 0.0000001768 0.65604 4.74453
236 5U5G NAP 0.0000324 0.41114 4.74576
237 2X3N FAD 0.0004838 0.43044 4.7619
238 2ZB4 5OP 0.002646 0.40194 4.7619
239 1YKF NAP 0.0002314 0.46214 4.82955
240 2EG5 SAH 0.02073 0.41774 4.83871
241 1VE3 SAM 0.01509 0.41485 4.84582
242 2PS1 PRP 0.01648 0.41008 4.86726
243 1L1E SAH 0.003898 0.4359 4.87805
244 4EMI NAD 0.0007329 0.42121 4.87805
245 4EMI FAD 0.0005497 0.40008 4.87805
246 3LU1 NAD 0.00009862 0.47687 4.94506
247 1LSS NAD 0.00002768 0.53378 5
248 4YMH SAH 0.002392 0.44557 5
249 4J4H NAI 0.00001823 0.46345 5.01931
250 4J4H 1J1 0.00001823 0.46345 5.01931
251 4JK3 NAD 0.000002379 0.43348 5.01931
252 2VHW NAI 0.000006112 0.45466 5.03979
253 4BV6 FAD 0.0006844 0.40349 5.05263
254 1RPN NDP 0.001843 0.4118 5.07463
255 1GET NAP 0.00309 0.4046 5.11111
256 1GET FAD 0.003044 0.40353 5.11111
257 3O9Z NAD 0.0001454 0.42823 5.12821
258 3O9Z AKG 0.0002429 0.42444 5.12821
259 2OOR NAD 0.0007612 0.46443 5.17241
260 5X62 SAH 0.01468 0.41856 5.17241
261 3GD4 NAD 0.0004191 0.47217 5.26316
262 3OND ADN 0.00004733 0.45096 5.26316
263 3OND NAD 0.00004733 0.45096 5.26316
264 3GD4 FAD 0.0004547 0.4314 5.26316
265 4EUE NAI 0.00009199 0.40731 5.26316
266 3E1T FAD 0.001081 0.40118 5.26316
267 2EJU SAH 0.002874 0.44904 5.29101
268 2I7C AAT 0.0004769 0.43833 5.30035
269 4CQM NAP 0.0002828 0.45868 5.32787
270 3CTY FAD 0.0009907 0.40456 5.32915
271 1J0X NAD 0.00009011 0.43626 5.42169
272 3GFB NAD 0.00000505 0.53696 5.42857
273 4YCA NDP 0.0001465 0.48054 5.44218
274 3TWO NDP 0.0001144 0.41396 5.45977
275 4AZT SAM 0.005732 0.43483 5.47368
276 1GQ2 NAP 0.000021 0.41543 5.47368
277 3WGT FAD 0.000388 0.42087 5.4755
278 3WGT QSC 0.000491 0.41847 5.4755
279 2DC1 NAD 0.000004574 0.42637 5.50847
280 2O4C NAD 0.0000009444 0.46123 5.52632
281 2CDU FAD 0.0001608 0.41188 5.53097
282 4USR FAD 0.0002023 0.40002 5.54017
283 1Q1R FAD 0.0006444 0.42598 5.56845
284 3CIF NAD 0.000004633 0.43408 5.57103
285 3CIF G3H 0.0000313 0.43206 5.57103
286 3CH6 NAP 0.0008489 0.4198 5.59441
287 3CH6 311 0.0008489 0.4198 5.59441
288 4DMG SAM 0.01763 0.42491 5.59796
289 4NBU NAI 0.00007737 0.40779 5.6
290 5JY6 NAD 0.0005998 0.41653 5.61798
291 5JE8 NAD 0.000003586 0.55267 5.62914
292 1KEV NDP 0.0000404 0.42418 5.69801
293 5GUD NDP 0.001544 0.4081 5.73248
294 5GUD 2IT 0.002708 0.40362 5.73248
295 3NJ4 NAD 0.0002599 0.46398 5.74713
296 3NJ4 AFX 0.000618 0.44991 5.74713
297 1XSE NDP 0.0004238 0.40811 5.76271
298 2V6G NAP 0.0001226 0.40131 5.76923
299 1HDO NAP 0.0008174 0.42957 5.82524
300 1EBF NAD 0.000003006 0.41832 5.86592
301 5TUF FAD 0.001409 0.42567 5.86797
302 5JCJ NAP 0.002728 0.42208 5.89474
303 4CM8 NAP 0.002884 0.42111 5.89474
304 2ZJ1 NAD 0.00008839 0.42041 5.89474
305 2ZJ1 ARJ 0.00008899 0.42008 5.89474
306 4CMI NAP 0.003356 0.41844 5.89474
307 4CM4 NAP 0.003372 0.41836 5.89474
308 3JQG NAP 0.004453 0.416 5.89474
309 3JQB NAP 0.004535 0.41567 5.89474
310 3JQ8 NAP 0.004127 0.41235 5.89474
311 3BMN NAP 0.004573 0.41057 5.89474
312 3JQ7 NAP 0.009099 0.40321 5.89474
313 3L4S 3PG 0.00003554 0.42351 5.95238
314 3L4S NAD 0.00003485 0.42057 5.95238
315 3IX1 NFM 0.04828 0.4126 5.96026
316 3A4V PYR 0.00009782 0.45816 5.99369
317 3A4V NAD 0.00009782 0.45816 5.99369
318 5MDH NAD 0.0002625 0.46651 6.00601
319 2B4R NAD 0.000006657 0.43636 6.08696
320 2B4R AES 0.00001899 0.42027 6.08696
321 5MQ6 NDP 0.00003233 0.52105 6.10526
322 5UAO FAD 0.0001851 0.41515 6.10526
323 1FEC FAD 0.001044 0.40576 6.10526
324 4K26 NDP 0.0008618 0.43662 6.15942
325 4K26 SFF 0.001473 0.40881 6.15942
326 4YRY NAD 0.001831 0.40297 6.15942
327 4YRY FAD 0.0009641 0.40095 6.15942
328 3EWP APR 0.01247 0.40474 6.21469
329 1EZ4 NAD 0.00001029 0.41482 6.28931
330 2Q1W NAD 0.0000475 0.47909 6.30631
331 2WPF WPF 0.004836 0.41055 6.31579
332 2WPF FAD 0.005075 0.40839 6.31579
333 1IY8 NAD 0.0001026 0.4043 6.36704
334 1XDS SAM 0.03218 0.40801 6.41711
335 5H81 NAP 0.0002737 0.4843 6.42674
336 1LLU NAD 0.000008721 0.44379 6.43275
337 3OFK SAH 0.002025 0.44541 6.48148
338 2FR1 NDP 0.0001159 0.46751 6.52632
339 1V8B NAD 0.0000176 0.44025 6.52632
340 3KB6 NAD 0.000002482 0.54963 6.58683
341 5N53 8NB 0.0002581 0.54203 6.66667
342 3TLJ SAH 0.0148 0.40666 6.70241
343 3WQQ IB3 0.00009186 0.43194 6.73684
344 3WQQ NDP 0.00009186 0.43194 6.73684
345 1SQL GUN 0.03719 0.41812 6.84932
346 3CMC NAD 0.0004247 0.43313 6.88623
347 1GEE NAD 0.002807 0.41901 6.89655
348 4X9M FAD 0.0005135 0.4058 6.9378
349 3AB1 FAD 0.0003845 0.40895 6.94444
350 1P31 EPU 0.003471 0.44516 6.94737
351 2AHR NAP 0.001524 0.42692 6.94981
352 1PR9 NAP 0.0002181 0.40012 6.96721
353 1NYT NAP 0.0003589 0.46777 7.01107
354 2Q0L NAP 0.003323 0.45375 7.07396
355 2Q0L FAD 0.0004803 0.42123 7.07396
356 1MUU NAD 0.00003419 0.51111 7.11009
357 1MV8 NAD 0.00001897 0.40774 7.11009
358 3A4T SFG 0.006527 0.42264 7.29927
359 4A0S NAP 0.001362 0.42883 7.38255
360 4KP7 NAP 0.0002932 0.42488 7.49415
361 4KP7 1UQ 0.0002853 0.4202 7.49415
362 1YJQ NAP 0.0001013 0.4089 7.59076
363 1NVM NAD 0.0000344 0.41741 7.69231
364 3QV1 NAD 0.000004005 0.42286 7.71513
365 4GKV NAD 0.00002626 0.48545 7.7381
366 2FKA BEF 0.01307 0.43389 7.75194
367 5ITV NAI 0.0001137 0.40221 7.84314
368 4BS0 6NT 0.02793 0.42189 7.86164
369 1PL6 572 0.000004653 0.44559 7.86517
370 1BXG NAD 0.0000007585 0.44184 7.86517
371 1BW9 NAD 0.0000006027 0.42045 7.86517
372 1PL6 NAD 0.000002147 0.41207 7.86517
373 2WSB NAD 0.00007885 0.43159 7.87402
374 1C1X NAD 0.0000006746 0.44286 7.88732
375 4JNA FAD 0.0004686 0.41939 7.94118
376 2DFV NAD 0.000001463 0.44043 8.06916
377 3VYW SAM 0.003412 0.43853 8.11688
378 4ITU 1HS 0.0003548 0.41537 8.17844
379 3RJ5 NAD 0.0004069 0.43068 8.26772
380 1HYH NAD 0.00001555 0.50491 8.41424
381 1BZL FAD 0.005171 0.40856 8.42105
382 4II2 ATP 0.000004083 0.57164 8.43373
383 2NPX FAD 0.002331 0.40596 8.50112
384 4AU7 SAH 0.03714 0.40177 8.50202
385 1X87 NAD 0.000008652 0.40323 8.52995
386 4G74 FAD 0.00004542 0.47027 8.63158
387 4G74 UQ5 0.000241 0.41475 8.63158
388 5MZI FYK 0.0005513 0.42543 8.67679
389 5MZI FAD 0.0005225 0.42543 8.67679
390 5DN9 NAD 0.000001382 0.46071 8.79121
391 3GU3 SAH 0.04871 0.40515 8.80282
392 2VDV SAM 0.005314 0.44764 8.94309
393 1FL2 FAD 0.0006215 0.40043 9.03226
394 4YSX FAD 0.0003057 0.41232 9.04255
395 5DXA SFG 0.006187 0.42076 9.16905
396 5T9F TYR 0.00008029 0.42338 9.22509
397 5T9F NAP 0.0001055 0.4171 9.22509
398 4QTU SAM 0.001742 0.4555 9.62963
399 4RQU NAD 0.00003571 0.41241 9.86667
400 3H8V ATP 0.0000007233 0.40915 9.93151
401 4J1Q NDP 0.00003532 0.40757 10.1293
402 2A92 NAI 0.0000426 0.4152 10.2804
403 5L95 AMP 0.000001583 0.40442 10.3943
404 4NBT NAD 0.001195 0.43659 10.4167
405 4D86 ADP 0.02413 0.40231 10.8434
406 5ODQ FAD 0.001459 0.40289 10.8696
407 2CVZ NDP 0.0001192 0.48427 11.0727
408 4EMJ FAD 0.0009936 0.41477 11.215
409 1H5Q NAP 0.0009471 0.43502 11.3208
410 5E8J SAH 0.01346 0.42725 11.3636
411 1YXM ADE 0.003703 0.4608 12.2112
412 2DBZ NAP 0.00000966 0.42377 12.2754
413 4CNK FAD 0.000251 0.41007 12.2762
414 2D5A COA 0.005385 0.42341 13.1944
415 1U7T NAD 0.0004046 0.4588 13.41
416 1U7T TDT 0.0001353 0.43988 13.41
417 3WLE NAD 0.00001025 0.4482 13.783
418 3EGV SAH 0.01016 0.42633 14.2857
419 1E6E FAD 0.0003439 0.40072 14.8438
420 1ZEM NAD 0.00001332 0.41375 14.8855
421 3JV7 NAD 0.00004405 0.41137 16.2319
422 5LD5 NAD 0.000006084 0.40959 16.7598
423 1WP4 NDP 0.00003838 0.40728 16.955
424 1P77 ATR 0.0001019 0.56074 19.1176
425 1E3W NAD 0.0001043 0.47591 19.1571
426 1E6W NAD 0.0001726 0.4672 19.2308
427 2GAG NAD 0.0003516 0.40461 20.202
428 3AD8 NAD 0.0002478 0.40186 21.2121
429 4XB2 HSE 0.0000005084 0.47006 23.2836
430 4XB2 NDP 0.00000007046 0.45279 23.2836
431 2V3B FAD 0.0001096 0.4197 25.4545
432 2WYV NAD 0.005254 0.40816 26.4368
Pocket No.: 2; Query (leader) PDB : 4XQC; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4xqc.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4XQC; Ligand: NAD; Similar sites found: 434
This union binding pocket(no: 3) in the query (biounit: 4xqc.bio1) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PZG A3D 0.0000848 0.4254 1.20846
2 4E5N NAD 0.0000009792 0.46201 1.21212
3 2Y6Q FAD 0.00008165 0.41116 1.25628
4 2Y6Q I7T 0.001107 0.40687 1.25628
5 5JWC FAD 0.00004455 0.47249 1.26316
6 1H82 GZZ 0.001659 0.4117 1.27119
7 1H82 FAD 0.002529 0.40163 1.27119
8 1E5Q NDP 0.000000002664 0.66321 1.33333
9 1E5Q SHR 0.03209 0.40726 1.33333
10 3SQP FAD 0.008094 0.4206 1.46444
11 1OBB NAD 0.0005592 0.46202 1.47368
12 5GT9 NAP 0.0001585 0.40223 1.52091
13 2HJR APR 0.00001573 0.40084 1.52439
14 4HXY NDP 0.00004468 0.41861 1.59817
15 5G3U FDA 0.0003474 0.40833 1.65485
16 1W73 NAP 0.0002201 0.47945 1.65563
17 1K3T BRZ 0.00009116 0.41516 1.67131
18 5GM1 SAH 0.0103 0.41012 1.6835
19 1UWK NAD 0.00006068 0.44768 1.68421
20 1UWK URO 0.00006068 0.44768 1.68421
21 2IVD FAD 0.0005191 0.43077 1.68421
22 3CGB FAD 0.0005613 0.42708 1.68421
23 2WET FAD 0.0002367 0.42175 1.68421
24 3CGD NAD 0.003912 0.40748 1.68421
25 3CGD FAD 0.003912 0.40748 1.68421
26 3CGD COA 0.003912 0.40748 1.68421
27 3OZ2 FAD 0.00152 0.40528 1.68421
28 3FG2 FAD 0.0009946 0.4279 1.73267
29 4OPC PGT 0.004354 0.41656 1.766
30 4OPC FDA 0.004136 0.41426 1.766
31 3V1Y NAD 0.000005354 0.53921 1.78042
32 4L8V NAP 0.00001183 0.42744 1.78042
33 1U1I NAD 0.0000812 0.41779 1.78571
34 1Z82 NDP 0.007956 0.40472 1.79104
35 2GCG NDP 0.00002576 0.41764 1.81818
36 1ZBQ NAD 0.0005626 0.44001 1.83486
37 1LJ8 NAD 0.004373 0.42951 1.89474
38 1M2W NAD 0.007952 0.41506 1.89474
39 3AYI FAD 0.001254 0.40955 1.89474
40 3AYI HCI 0.001339 0.40944 1.89474
41 3UOY NAP 0.002442 0.40929 1.89474
42 3UOY FAD 0.002442 0.40929 1.89474
43 3ETG GLU 0.002192 0.40216 1.89474
44 3GGO ENO 0.00004252 0.44551 1.91083
45 3GGO NAI 0.00004252 0.44551 1.91083
46 2YY7 NAD 0.00003078 0.42216 1.92308
47 3VPH OXM 0.00004726 0.42801 1.93548
48 3VPH NAD 0.0000457 0.42195 1.93548
49 5BVA FAD 0.0009346 0.40735 1.95599
50 2I3G NAP 0.0004829 0.44542 1.98864
51 1YKJ FAD 0.00264 0.4054 2.03046
52 1YKJ PHB 0.00264 0.4054 2.03046
53 2V3A FAD 0.0001807 0.41816 2.08333
54 1QMG APX 0.0001117 0.49626 2.10526
55 5TS5 FAD 0.001081 0.40827 2.10526
56 2BRY FAD 0.0001934 0.40469 2.10526
57 3IHG FAD 0.0001286 0.40208 2.10526
58 2PZM NAD 0.0002581 0.42471 2.12121
59 2PZM UDP 0.0002581 0.42471 2.12121
60 2G5C NAD 0.00001555 0.42525 2.13523
61 1D1T NAD 0.00001364 0.50209 2.14477
62 1P0F NAP 0.00006303 0.41681 2.14477
63 2RAB NAD 0.002441 0.40864 2.15983
64 3OA2 NAD 0.00004422 0.49325 2.20126
65 2GV8 FAD 0.0002339 0.44882 2.23714
66 2GV8 NDP 0.002602 0.43326 2.23714
67 2GVC FAD 0.0001841 0.40535 2.23714
68 2VZ0 NAP 0.004573 0.40449 2.23881
69 2VZ0 D64 0.004573 0.40449 2.23881
70 1EQ2 NAP 0.0008854 0.43794 2.25806
71 1GUZ NAD 0.00003743 0.41149 2.25806
72 1EK6 UPG 0.0002589 0.43545 2.29885
73 1EK6 NAI 0.0002874 0.43212 2.29885
74 3ZNN FAD 0.0005829 0.42425 2.30548
75 3ZNN 4WL 0.0005829 0.42425 2.30548
76 4XYB NDP 0.00003788 0.47831 2.31579
77 2ZWA SAH 0.01177 0.41026 2.31579
78 1N4W FAD 0.001273 0.40192 2.31579
79 3FWN ATR 0.000355 0.4001 2.31579
80 4EIP K2C 0.001772 0.40007 2.31579
81 4EIP FAD 0.001772 0.40007 2.31579
82 3A28 NAD 0.0006416 0.44349 2.32558
83 3QJ4 FAD 0.002584 0.40134 2.33918
84 1GEG NAD 0.0003292 0.45498 2.34375
85 4XDY NAI 0.00009792 0.4867 2.36686
86 4GLL NAD 0.000185 0.40122 2.37389
87 4BVA NDP 0.00001427 0.43185 2.38806
88 4BVA T3 0.00009659 0.4271 2.38806
89 1E1M NAP 0.001889 0.40436 2.3913
90 1E1M FAD 0.001889 0.40436 2.3913
91 1CDO NAD 0.00008295 0.40061 2.40642
92 1CER NAD 0.000003101 0.54909 2.41692
93 1OMO NAD 0.00000153 0.43403 2.48447
94 1X14 NAD 0.0001745 0.51047 2.49377
95 1YB5 NAP 0.0007598 0.42973 2.5641
96 1AE1 NAP 0.0002323 0.40379 2.5641
97 5AYV KPL 0.00008722 0.42081 2.589
98 1ORR NAD 0.00006508 0.41712 2.59366
99 1VL8 NAP 0.0003358 0.44575 2.62172
100 4J36 FAD 0.00004269 0.42283 2.6506
101 4J36 1HR 0.0003835 0.41905 2.6506
102 2PV7 NAD 0.0001424 0.4763 2.68456
103 5M67 ADE 0.00002297 0.46509 2.73684
104 5M67 3D1 0.00002692 0.46279 2.73684
105 5M67 NAD 0.00003054 0.46095 2.73684
106 4DPL NAP 0.00138 0.4303 2.73684
107 1MO9 FAD 0.001743 0.42068 2.73684
108 1MO9 KPC 0.002344 0.41662 2.73684
109 2E5V FAD 0.0008652 0.40744 2.75424
110 2Q46 NAP 0.0001181 0.47607 2.7668
111 4EWN 0VR 0.03167 0.40442 2.7668
112 1KEW NAD 0.00009551 0.4464 2.77008
113 1KEW TYD 0.000308 0.42831 2.77008
114 1NPD NAD 0.002904 0.43121 2.77778
115 4J7U NAP 0.0003514 0.41815 2.77778
116 4J7U YTZ 0.0003514 0.41815 2.77778
117 3ORF NAD 0.00004989 0.49114 2.78884
118 2NAD NAD 0.00002118 0.43824 2.79898
119 1F3L SAH 0.00179 0.44683 2.80374
120 3SJU NDP 0.0005642 0.44278 2.86738
121 3GDH SAH 0.003425 0.42812 2.90456
122 1A99 PUT 0.04414 0.41113 2.90698
123 4O0L NDP 0.000688 0.43942 2.90909
124 1QO8 FAD 0.0007028 0.40823 2.94737
125 1COY FAD 0.0007586 0.40476 2.94737
126 1COY AND 0.002335 0.40359 2.94737
127 3B20 NAD 0.00002014 0.40477 2.94985
128 5KMS NAD 0.0005261 0.4266 2.96296
129 2C29 NAP 0.0006979 0.44499 2.96736
130 1N2X SAM 0.01127 0.40839 2.99003
131 1XHC FAD 0.0001582 0.44946 2.99728
132 2GZ3 NAP 0.0005218 0.41967 3.00546
133 2VYN NAD 0.00002102 0.422 3.02115
134 4ONQ SFG 0.02109 0.40707 3.08123
135 1BXK NAD 0.00001188 0.42406 3.09859
136 4ZGS NAD 0.000001249 0.43292 3.10881
137 1X7D ORN 0.0000112 0.4537 3.14286
138 1X7D NAD 0.0000104 0.42826 3.14286
139 5HSA FAS 0.0008593 0.40294 3.15789
140 3G5S FAD 0.0001359 0.41957 3.16027
141 4ZRN NAD 0.00004062 0.47717 3.20513
142 4ZRN UPG 0.0001129 0.42012 3.20513
143 2JHF NAD 0.000255 0.47178 3.20856
144 1U3U BNF 0.00002967 0.45827 3.20856
145 1U3U NAD 0.00002967 0.45827 3.20856
146 1SC6 NAD 0.000008116 0.4411 3.21782
147 2F1K NAP 0.00001213 0.41775 3.22581
148 4D3F NAP 0.0000112 0.40439 3.22581
149 5DOZ NDP 0.001191 0.42493 3.25444
150 1CF2 NAP 0.000008372 0.4234 3.2641
151 3EVG SAH 0.02151 0.40666 3.27273
152 1QAN SAH 0.002527 0.44015 3.27869
153 4PLT OXM 0.0001606 0.40388 3.32326
154 3QWI CUE 0.0005895 0.40943 3.33333
155 3UCL CYH 0.001537 0.41498 3.36842
156 3UCL FAD 0.001537 0.41498 3.36842
157 3UCL NAP 0.002295 0.41089 3.36842
158 3EGI ADP 0.0004658 0.52328 3.39806
159 3U31 NAD 0.002282 0.44213 3.44828
160 2AE2 NAP 0.0002676 0.41834 3.46154
161 2AE2 PTO 0.0002676 0.41834 3.46154
162 1JJ7 ADP 0.03237 0.41129 3.46154
163 3BGD SAH 0.01054 0.40967 3.46154
164 3BGD PM6 0.01023 0.40023 3.46154
165 5A04 NDP 0.002555 0.40148 3.53982
166 5A04 BGC 0.003394 0.40091 3.53982
167 2UYQ SAM 0.01546 0.43894 3.54839
168 1SES AMP 0.04284 0.41092 3.56295
169 5U8U FAD 0.0009059 0.42301 3.57895
170 2ZXI FAD 0.001314 0.41389 3.57895
171 2VVL FAD 0.001175 0.40705 3.57895
172 2IID PHE 0.002401 0.40162 3.57895
173 2IID FAD 0.002401 0.40162 3.57895
174 2JAP NDP 0.0003684 0.45001 3.64372
175 2JAH NDP 0.0004877 0.44525 3.64372
176 1F8G NAD 0.000604 0.46788 3.64583
177 2XVE FAD 0.00105 0.41782 3.66379
178 2XVF FAD 0.0004777 0.40311 3.66379
179 2CVQ NDP 0.00009855 0.47923 3.66972
180 3WV8 ATP 0.0000001271 0.43618 3.66972
181 2Q7V FAD 0.0004769 0.41157 3.69231
182 4K28 NAD 0.0000005874 0.58459 3.71747
183 2PXX SAH 0.00216 0.4502 3.72093
184 3A06 FOM 0.0001907 0.41289 3.7234
185 3A06 NDP 0.0001578 0.41038 3.7234
186 2RGJ FAD 0.0002148 0.4531 3.73134
187 1Y8Q ATP 0.00001116 0.5352 3.78947
188 1LDN NAD 0.000008955 0.43576 3.79747
189 5TH5 MET 0.04609 0.41295 3.80228
190 1U8X NAD 0.003831 0.42041 3.81356
191 3AB4 THR 0.04188 0.40788 3.93258
192 1XG5 NAP 0.000115 0.40663 3.94265
193 5EOW FAD 0.0001804 0.40642 3.95062
194 3MJE NDP 0.000147 0.40067 4
195 1F06 NDP 0.00003885 0.42879 4.0625
196 1F06 2NP 0.00003885 0.42879 4.0625
197 3ABI NAD 0.00000001165 0.51423 4.10959
198 3DXY SAM 0.002043 0.47221 4.12844
199 4YAG NAI 0.0003758 0.41734 4.15225
200 4RDH AMP 0.0000003688 0.64705 4.16667
201 4RDI ATP 0.0000008952 0.40946 4.16667
202 1J49 NAD 0.000006605 0.43315 4.2042
203 4OOE NDP 0.0002573 0.46924 4.20792
204 2DT5 NAD 0.000007023 0.52543 4.2654
205 4OBW SAM 0.007838 0.42748 4.28016
206 1GY8 NAD 0.00002498 0.42287 4.28212
207 3WXB NDP 0.001958 0.42168 4.30108
208 5UAV NDP 0.00006672 0.42531 4.34783
209 5UAV TFB 0.00006672 0.42531 4.34783
210 4D79 ATP 0.0000003001 0.42114 4.34783
211 3FPF TNA 0.001758 0.40515 4.36242
212 3FPF MTA 0.001758 0.40515 4.36242
213 2CDC XYP 0.0007617 0.42564 4.37158
214 2CDC NAP 0.001479 0.41557 4.37158
215 2CDC XYS 0.001479 0.41557 4.37158
216 1GZ6 NAI 0.001639 0.42471 4.38871
217 3KLJ FAD 0.00007909 0.41613 4.41558
218 5VN0 NAI 0.0005913 0.4542 4.44015
219 5VN0 FAD 0.0003108 0.43374 4.44015
220 3WMX NAD 0.00005521 0.49705 4.46927
221 4TM3 FAD 0.0008022 0.42697 4.51467
222 1E3I CXF 0.000015 0.48652 4.52128
223 2FZW NAD 0.0001273 0.4348 4.55764
224 3MQ2 SAH 0.02002 0.41116 4.58716
225 5GZ6 7C3 0.00001047 0.5413 4.60123
226 5GZ6 NDP 0.00002336 0.53592 4.60123
227 5JCM NAD 0.001146 0.41944 4.65632
228 5JCM ISD 0.001146 0.41944 4.65632
229 5JCM FAD 0.001093 0.41944 4.65632
230 1JNR FAD 0.0007387 0.43157 4.66667
231 1KYQ NAD 0.0000002771 0.64516 4.74453
232 5U5G NAP 0.00001445 0.42443 4.74576
233 2X3N FAD 0.0005424 0.42762 4.7619
234 2ZB4 5OP 0.001892 0.40612 4.7619
235 2ZB4 NAP 0.002943 0.40138 4.7619
236 1YKF NAP 0.0002666 0.45861 4.82955
237 2EG5 SAH 0.01347 0.42637 4.83871
238 2WQN ADP 0.03405 0.40921 4.83871
239 1VE3 SAM 0.01886 0.40938 4.84582
240 1L1E SAH 0.001839 0.4498 4.87805
241 4EMI NAD 0.001045 0.4179 4.87805
242 3LU1 NAD 0.00009442 0.47648 4.94506
243 1LSS NAD 0.00001669 0.54255 5
244 4YMH SAH 0.001474 0.45417 5
245 1J3I UMP 0.02185 0.42294 5
246 4J4H 1J1 0.00001179 0.47246 5.01931
247 4J4H NAI 0.00001179 0.47246 5.01931
248 4JK3 NAD 0.0000008872 0.4505 5.01931
249 2VHW NAI 0.000003247 0.46819 5.03979
250 4BV6 FAD 0.0008813 0.40298 5.05263
251 1RPN NDP 0.001491 0.41416 5.07463
252 2HK9 NAP 0.00005694 0.40618 5.09091
253 1GET NAP 0.003758 0.40334 5.11111
254 1GET FAD 0.003753 0.40208 5.11111
255 3O9Z NAD 0.0001584 0.42457 5.12821
256 3O9Z AKG 0.0002712 0.42056 5.12821
257 2OOR NAD 0.0006712 0.46584 5.17241
258 5X62 SAH 0.007597 0.43154 5.17241
259 2OOR TXP 0.008869 0.40278 5.17241
260 3GD4 NAD 0.0004322 0.47053 5.26316
261 3OND NAD 0.0000198 0.46613 5.26316
262 3OND ADN 0.0000198 0.46613 5.26316
263 3GD4 FAD 0.000664 0.42448 5.26316
264 4EUE NAI 0.0001071 0.40935 5.26316
265 2EJU SAH 0.0007341 0.47607 5.29101
266 2I7C AAT 0.0005445 0.43513 5.30035
267 4CQM NAP 0.0002736 0.45816 5.32787
268 1J0X NAD 0.00003389 0.45369 5.42169
269 3GFB NAD 0.000002211 0.55034 5.42857
270 4YCA NDP 0.0001635 0.47744 5.44218
271 3TWO NDP 0.0001184 0.41649 5.45977
272 4AZT SAM 0.00198 0.45573 5.47368
273 1GQ2 NAP 0.0000248 0.41718 5.47368
274 3WGT FAD 0.0008259 0.41205 5.4755
275 3WGT QSC 0.0009438 0.41105 5.4755
276 2DC1 NAD 0.000004405 0.43209 5.50847
277 2O4C NAD 0.0000009935 0.46495 5.52632
278 2CDU FAD 0.0002421 0.40908 5.53097
279 1Q1R FAD 0.0009889 0.4183 5.56845
280 3CIF G3H 0.00002467 0.44003 5.57103
281 3CIF NAD 0.000004477 0.43832 5.57103
282 3CH6 NAP 0.0006141 0.42666 5.59441
283 3CH6 311 0.0006141 0.42666 5.59441
284 4DMG SAM 0.01451 0.42842 5.59796
285 4NBU NAI 0.00009652 0.40755 5.6
286 5JY6 NAD 0.000458 0.42252 5.61798
287 5JE8 NAD 0.0000007692 0.57963 5.62914
288 3VY6 BGC BGC 0.03413 0.41976 5.67376
289 1KEV NDP 0.00006111 0.42233 5.69801
290 5GUD NDP 0.001952 0.40357 5.73248
291 3NJ4 NAD 0.00009895 0.48205 5.74713
292 3NJ4 AFX 0.00023 0.46819 5.74713
293 1XSE NDP 0.0003026 0.41582 5.76271
294 2V6G NAP 0.0001238 0.40537 5.76923
295 2XT3 ADP 0.03316 0.41683 5.81395
296 1HDO NAP 0.0009216 0.42661 5.82524
297 1EBF NAD 0.000003044 0.42269 5.86592
298 5TUF FAD 0.00246 0.41537 5.86797
299 2ZJ1 ARJ 0.00003224 0.43124 5.89474
300 2ZJ1 NAD 0.00003639 0.4296 5.89474
301 5JCJ NAP 0.002282 0.42426 5.89474
302 4CM8 NAP 0.002474 0.42284 5.89474
303 4CMI NAP 0.00283 0.42049 5.89474
304 4CM4 NAP 0.002847 0.42038 5.89474
305 3JQB NAP 0.00345 0.41962 5.89474
306 3JQG NAP 0.00367 0.41851 5.89474
307 3JQ8 NAP 0.00353 0.41411 5.89474
308 3BMN NAP 0.003953 0.41216 5.89474
309 3JQ7 NAP 0.007232 0.40642 5.89474
310 3L4S 3PG 0.00002829 0.43006 5.95238
311 3L4S NAD 0.00002776 0.42708 5.95238
312 3A4V NAD 0.0001114 0.45497 5.99369
313 3A4V PYR 0.0001114 0.45497 5.99369
314 5MDH NAD 0.0002374 0.46721 6.00601
315 2B4R NAD 0.000006722 0.44015 6.08696
316 2B4R AES 0.00001672 0.42519 6.08696
317 5MQ6 NDP 0.00005496 0.50976 6.10526
318 5UAO FAD 0.0003334 0.41055 6.10526
319 1FEC FAD 0.001666 0.40096 6.10526
320 4K26 NDP 0.0006127 0.44139 6.15942
321 4K26 SFF 0.001323 0.40944 6.15942
322 3EWP APR 0.006636 0.41045 6.21469
323 1EZ4 NAD 0.000007403 0.42333 6.28931
324 2Q1W NAD 0.00005012 0.47702 6.30631
325 2WPF WPF 0.003815 0.41602 6.31579
326 2WPF FAD 0.004566 0.41173 6.31579
327 1IY8 NAD 0.0001197 0.40526 6.36704
328 1XDS SAM 0.01697 0.4213 6.41711
329 5H81 NAP 0.0001914 0.49014 6.42674
330 1LLU NAD 0.000004331 0.45648 6.43275
331 3OFK SAH 0.0004146 0.47517 6.48148
332 2FR1 NDP 0.00008066 0.47243 6.52632
333 1V8B NAD 0.000006876 0.45648 6.52632
334 3KB6 NAD 0.000002551 0.5478 6.58683
335 5N53 8NB 0.0003687 0.53264 6.66667
336 3TLJ SAH 0.01277 0.406 6.70241
337 3WQQ NDP 0.00007878 0.43741 6.73684
338 3WQQ IB3 0.00007878 0.43741 6.73684
339 3CMC NAD 0.000347 0.43832 6.88623
340 1GEE NAD 0.003299 0.41528 6.89655
341 3AB1 FAD 0.0004979 0.40868 6.94444
342 1P31 EPU 0.002363 0.4521 6.94737
343 2AHR NAP 0.002349 0.4186 6.94981
344 1QZZ SAM 0.03275 0.40681 6.95187
345 1PR9 NAP 0.0001195 0.41146 6.96721
346 3D3W NAP 0.0001813 0.40606 6.96721
347 1NYT NAP 0.0001842 0.47897 7.01107
348 2Q0L NAP 0.003065 0.45454 7.07396
349 2Q0L FAD 0.0006792 0.41509 7.07396
350 1MUU NAD 0.00002626 0.51476 7.11009
351 1MV8 NAD 0.00001032 0.41954 7.11009
352 3A4T SFG 0.00321 0.43551 7.29927
353 4A0S NAP 0.000999 0.4331 7.38255
354 4KP7 NAP 0.0002226 0.43106 7.49415
355 4KP7 1UQ 0.0002084 0.42776 7.49415
356 1YJQ NAP 0.0001263 0.40953 7.59076
357 1NVM NAD 0.00003896 0.41932 7.69231
358 3QV1 NAD 0.000003345 0.42839 7.71513
359 4GKV NAD 0.000007791 0.50392 7.7381
360 2FKA BEF 0.01455 0.42738 7.75194
361 5ITV NAI 0.00008946 0.4086 7.84314
362 1PL6 572 0.000001866 0.46152 7.86517
363 1BXG NAD 0.0000004171 0.45327 7.86517
364 1BW9 NAD 0.0000003039 0.43414 7.86517
365 1PL6 NAD 0.000001028 0.4254 7.86517
366 2WSB NAD 0.00009847 0.43168 7.87402
367 1C1X NAD 0.0000004084 0.45405 7.88732
368 4JNA FAD 0.0006859 0.41283 7.94118
369 2YIP YIO 0.02789 0.41312 7.97101
370 2DFV NAD 0.0000007036 0.45408 8.06916
371 3VYW SAM 0.003726 0.43585 8.11688
372 4ITU 1HS 0.0002259 0.42468 8.17844
373 3RJ5 NAD 0.0003862 0.43042 8.26772
374 1HYH NAD 0.00001551 0.5037 8.41424
375 1BZL FAD 0.005536 0.40911 8.42105
376 4II2 ATP 0.000001195 0.59456 8.43373
377 2NPX FAD 0.003132 0.40041 8.50112
378 4AU7 SAH 0.03339 0.40328 8.50202
379 1X87 NAD 0.000006019 0.41229 8.52995
380 4G74 FAD 0.00006273 0.46401 8.63158
381 4G74 UQ5 0.0002523 0.41205 8.63158
382 5MZI FYK 0.0004739 0.42977 8.67679
383 5MZI FAD 0.0004493 0.42977 8.67679
384 5DN9 NAD 0.00000143 0.46546 8.79121
385 3GU3 SAH 0.01268 0.43542 8.80282
386 2VDV SAM 0.005132 0.44748 8.94309
387 4YSX FAD 0.0004423 0.41041 9.04255
388 5DXA SFG 0.007591 0.41595 9.16905
389 5T9F TYR 0.00008888 0.4249 9.22509
390 5T9F NAP 0.0001051 0.42029 9.22509
391 2BD0 NAP 0.0002107 0.4031 9.42623
392 4ZCC FAD 0.002081 0.40041 9.52381
393 4ZCC NAI 0.002206 0.40041 9.52381
394 4YGM URA 0.04098 0.40109 9.61539
395 4QTU SAM 0.0009774 0.46615 9.62963
396 4RQU NAD 0.000019 0.42388 9.86667
397 3H8V ATP 0.0000004294 0.41908 9.93151
398 4J1Q NDP 0.0000327 0.41174 10.1293
399 2A92 NAI 0.00002262 0.42733 10.2804
400 5L95 AMP 0.0000009287 0.41479 10.3943
401 3L9W AMP 0.00005179 0.41265 10.4116
402 4NBT NAD 0.001221 0.4352 10.4167
403 4TQG NDP 0.00007923 0.40318 10.8359
404 2CVZ NDP 0.00005511 0.49708 11.0727
405 4EMJ FAD 0.001408 0.4085 11.215
406 1H5Q NAP 0.00083 0.43624 11.3208
407 5E8J SAH 0.007333 0.43968 11.3636
408 1TE2 PGA 0.04336 0.41459 11.9469
409 1YXM ADE 0.004656 0.45051 12.2112
410 2DBZ NAP 0.000006532 0.43275 12.2754
411 4CNK FAD 0.0003166 0.41011 12.2762
412 2JKY 5GP 0.02406 0.41362 13.1455
413 2D5A COA 0.00513 0.42342 13.1944
414 1U7T NAD 0.00038 0.45885 13.41
415 1U7T TDT 0.0002439 0.43012 13.41
416 3WLE NAD 0.000002701 0.46959 13.783
417 3EGV SAH 0.005704 0.43755 14.2857
418 1E6E FAD 0.0004124 0.40131 14.8438
419 1ZEM NAD 0.00001378 0.41745 14.8855
420 3JV7 NAD 0.00002409 0.42281 16.2319
421 5LD5 NAD 0.000004258 0.41686 16.7598
422 1WP4 NDP 0.00001754 0.42122 16.955
423 2EV9 SKM 0.0001424 0.40723 18.2509
424 2EV9 NAP 0.0001424 0.40723 18.2509
425 4CFS HQD 0.03827 0.40657 18.8153
426 1P77 ATR 0.00003377 0.58598 19.1176
427 1E3W NAD 0.0001144 0.47318 19.1571
428 1E6W NAD 0.0002141 0.46239 19.2308
429 2GAG NAD 0.0004557 0.40205 20.202
430 3AD8 NAD 0.0003366 0.4002 21.2121
431 4XB2 HSE 0.0000003695 0.47885 23.2836
432 4XB2 NDP 0.00000005223 0.46134 23.2836
433 2V3B FAD 0.0001842 0.41572 25.4545
434 2WYV NAD 0.005772 0.40562 26.4368
Pocket No.: 4; Query (leader) PDB : 4XQC; Ligand: 13D; 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: 4xqc.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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