Receptor
PDB id Resolution Class Description Source Keywords
1QFY 1.8 Å EC: 1.18.1.2 PEA FNR Y308S MUTANT IN COMPLEX WITH NADP+ PISUM SATIVUM FLAVOENZYME PHOTOSYNTHESIS ELECTRON TRANSFER HYDRIDE TRANSFER OXIDOREDUCTASE
Ref.: A PRODUCTIVE NADP+ BINDING MODE OF FERREDOXIN-NADP + REDUCTASE REVEALED BY PROTEIN ENGINEERING AND CRYSTALLOGRAPHIC STUDIES. NAT.STRUCT.BIOL. V. 6 847 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:309;
B:809;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
NAP A:310;
B:810;
Valid;
Valid;
none;
none;
Kd < 0.2 uM
743.405 C21 H28 N7 O17 P3 c1cc(...
SO4 A:311;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QFY 1.8 Å EC: 1.18.1.2 PEA FNR Y308S MUTANT IN COMPLEX WITH NADP+ PISUM SATIVUM FLAVOENZYME PHOTOSYNTHESIS ELECTRON TRANSFER HYDRIDE TRANSFER OXIDOREDUCTASE
Ref.: A PRODUCTIVE NADP+ BINDING MODE OF FERREDOXIN-NADP + REDUCTASE REVEALED BY PROTEIN ENGINEERING AND CRYSTALLOGRAPHIC STUDIES. NAT.STRUCT.BIOL. V. 6 847 1999
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 1QFZ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 1QFY Kd < 0.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1QGA Kd = 5.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1QG0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1QFZ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 1QFY Kd < 0.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1QGA Kd = 5.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1QG0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1E63 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1H42 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1E62 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 1H85 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 2X3U - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 1B2R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 1GO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 1QUE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 4C43 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 1E64 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 3ZC3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 1GR1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
17 1QGY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
18 1QGZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 3ZBT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
20 2BSA Kd < 0.01 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 1W34 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 2VZL Kd = 550 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1QH0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
24 1BQE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
25 1OGJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
26 1BJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
27 1OGI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
28 1W35 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
29 4BPR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
30 1GJR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
31 2BMW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
32 2VYQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
33 3ZBU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
34 1QUF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
35 1GAW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
36 1FNB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
37 1BX1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
38 1FRN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
39 1FNC - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
40 1FRQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
41 1BX0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
42 1FND - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
43 1SM4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
44 3VO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
45 3VO1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1JB9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5VW9 - NCA C6 H6 N2 O c1cc(cnc1)....
3 5VW8 Kd < 0.02 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5H59 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 5VW3 Kd < 0.02 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 5VW6 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 3LO8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5VWA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 3LVB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 5VW4 - NCA C6 H6 N2 O c1cc(cnc1)....
11 5VW7 - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
12 5VWB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 5VW2 Kd < 0.02 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 5VW5 - NCA C6 H6 N2 O c1cc(cnc1)....
15 2RC5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 1QFZ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
17 1QFY Kd < 0.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
18 1QGA Kd = 5.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
19 1QG0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
20 1E63 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
21 1H42 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 1E62 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
23 1H85 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
24 2X3U - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
25 1B2R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
26 1GO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
27 1QUE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
28 4C43 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
29 1E64 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
30 3ZC3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
31 1GR1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
32 1QGY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
33 1QGZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
34 3ZBT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
35 2BSA Kd < 0.01 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
36 1W34 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
37 2VZL Kd = 550 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 1QH0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
39 1BQE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
40 1OGJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
41 1BJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
42 1OGI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
43 1W35 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
44 4BPR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
45 1GJR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
46 2BMW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
47 2VYQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
48 3ZBU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
49 1QUF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50 1GAW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
51 1FNB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
52 1BX1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
53 1FRN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
54 1FNC - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
55 1FRQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
56 1BX0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
57 1FND - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
58 1SM4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
59 3VO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
60 3VO1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Ligand no: 2; 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 : 1QFY; Ligand: NAP; Similar sites found: 99
This union binding pocket(no: 1) in the query (biounit: 1qfy.bio2) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2E1A MSE 0.02147 0.42083 None
2 5UCD NAP 0.006493 0.40387 1.62338
3 4WCX MET 0.03209 0.41466 1.94805
4 1KC7 PPR 0.04315 0.40417 1.94805
5 1KQR MNA 0.007211 0.4349 2.23464
6 3PUN FUC GAL NDG FUC 0.03892 0.4107 2.27273
7 4HMX FMN 0.0299 0.40251 2.32558
8 2P3I MNA 0.01988 0.40811 2.48447
9 1RZU ADP 0.006515 0.43936 2.5974
10 1E5Q SHR 0.008044 0.43077 2.5974
11 1Q8A HCS 0.04305 0.41094 2.5974
12 3BY9 SIN 0.01831 0.43202 2.69231
13 1DKU AP2 0.01401 0.42146 2.92208
14 3SIX GDP 0.03251 0.40399 3.0303
15 4YMX ARG 0.04297 0.40113 3.07692
16 2Z4T C5P 0.01548 0.42426 3.24675
17 4BC5 5FX 0.0157 0.4237 3.24675
18 2YX1 SFG 0.01641 0.41547 3.24675
19 4CP8 MLI 0.03995 0.41044 3.24675
20 3VSV XYS 0.03227 0.40884 3.24675
21 3RK0 AMP 0.03774 0.40067 3.37553
22 1NE7 16G 0.01092 0.44102 3.46021
23 4MOB ADP 0.03462 0.41336 3.57143
24 2X1L ADN 0.0427 0.40127 3.57143
25 4DS0 A2G GAL NAG FUC 0.01884 0.41726 3.68098
26 2BZZ AP5 0.01818 0.4007 3.7037
27 3ITA AIC 0.01196 0.44301 3.8961
28 2NNJ 225 0.0293 0.41362 3.8961
29 4BWL MN9 0.0151 0.43558 3.94737
30 2WPB ZZI 0.01422 0.4348 3.94737
31 4DSU BZI 0.03113 0.41652 4.54545
32 4AFK FLC 0.02547 0.41188 4.54545
33 1EP2 FAD 0.0005103 0.45928 4.5977
34 2JK0 ASP 0.01087 0.44317 4.87013
35 1CZA GLC 0.04382 0.40424 4.87013
36 1EJE FMN 0.01178 0.41237 5.20833
37 3I7V B4P 0.01732 0.45325 5.22388
38 3I7V ATP 0.03127 0.41738 5.22388
39 2RCA GLY 0.02366 0.41892 5.47945
40 5LNE A2G GAL 0.03403 0.40018 5.4878
41 3IWK NAD 0.02043 0.40124 5.51948
42 4YRY NAD 0.000000008948 0.53104 5.7971
43 2YK7 CSF 0.01488 0.40467 5.84416
44 4AZT SAM 0.01868 0.40307 5.84416
45 4AZW SAM 0.01782 0.4011 5.84416
46 1KZL CRM 0.004694 0.45103 6.25
47 1Y7P RIP 0.003907 0.44452 6.27803
48 5O0X FAD 0.00001052 0.58736 6.52921
49 5ARK UMP 0.0275 0.41917 6.71642
50 4YHB FAD 0.0008048 0.44397 6.95971
51 4ZYB 4SQ 0.04805 0.40208 7.46269
52 2RNF UM3 0.04404 0.40882 7.5
53 1VHZ APR 0.04318 0.40883 7.57576
54 4WQM FAD 0.0000002258 0.60285 8.11688
55 2YJP CYS 0.04526 0.40819 8.59107
56 1T9M FMN 0.01749 0.40746 8.8785
57 4ONT SIA GAL BGC 0.006358 0.45344 9.30233
58 3QDV NDG 0.03862 0.41597 9.79021
59 3QDY CBS 0.03985 0.41495 9.79021
60 3QDW NDG 0.04387 0.41189 9.79021
61 3UEC ALA ARG TPO LYS 0.03422 0.41869 10.274
62 2QQC AG2 0.01977 0.42828 11.3208
63 1N13 AG2 0.01506 0.43505 11.5385
64 3COB ADP 0.04486 0.40896 12.013
65 2PIA FMN 0.00002494 0.41238 12.3377
66 3OZV FAD 0.00003296 0.47413 12.6623
67 3OZV ECN 0.0001123 0.45924 12.6623
68 5LKC FUC GLA A2G 0.04073 0.40342 12.987
69 4RHS SIA SIA GAL 0.02034 0.42434 13.9344
70 1QX4 FAD 0.00000007707 0.56678 15.5844
71 1FQK ALF 0.02609 0.42134 15.6463
72 4G1V FAD 0.000001406 0.47969 17.5325
73 3W2E FAD 0.000000007426 0.5661 20.4545
74 3W2E NAD 0.000000007426 0.5661 20.4545
75 2EIX FAD 0.00005826 0.48317 20.7792
76 1KRH FAD 0.00000005452 0.65093 21.7532
77 2CND FAD 0.000001492 0.58586 22.0779
78 3A3B FMN 0.00573 0.45123 22.4026
79 3A3B RBF 0.00819 0.44303 22.4026
80 1A8P FAD 0.0000008788 0.59627 25
81 3CRZ NAP 0.00000000004152 0.67264 25.3247
82 3CRZ FAD 0.0000003001 0.6105 25.3247
83 1F20 FAD 0.000000002375 0.71255 29.8701
84 1F20 NAP 0.000003188 0.59809 29.8701
85 1TLL FAD 0.0000000008043 0.52286 29.8701
86 1TLL NAP 0.000007529 0.45122 29.8701
87 4DQL NAP 0.000000000008759 0.67742 30.1948
88 4DQL FAD 0.00000001788 0.64297 30.1948
89 4U9U FAD 0.00000001043 0.6753 33.0961
90 5GXU FAD 0.00000003072 0.61406 34.0909
91 1DDG FAD 0.00000004715 0.6462 34.7403
92 3FJO FAD 0.000000009066 0.7038 35.7143
93 2QTZ FAD 0.00000001492 0.6936 35.7143
94 2QTZ NAP 0.0000000001783 0.65631 35.7143
95 5FA6 FMN 0.00000000004649 0.49753 35.7143
96 5FA6 FAD 0.00000000004649 0.49753 35.7143
97 5FA6 NAP 0.00000000005007 0.49354 35.7143
98 3QFS NAP 0.00000000001977 0.66629 36.039
99 3QFS FAD 0.00000000001977 0.66629 36.039
Pocket No.: 2; Query (leader) PDB : 1QFY; Ligand: FAD; Similar sites found: 91
This union binding pocket(no: 2) in the query (biounit: 1qfy.bio2) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UCD NAP 0.006493 0.40387 1.62338
2 4WCX MET 0.03209 0.41466 1.94805
3 1KQR MNA 0.007211 0.4349 2.23464
4 3PUN FUC GAL NDG FUC 0.03892 0.4107 2.27273
5 4HMX FMN 0.0299 0.40251 2.32558
6 2P3I MNA 0.01988 0.40811 2.48447
7 1RZU ADP 0.006515 0.43936 2.5974
8 1E5Q SHR 0.008044 0.43077 2.5974
9 1Q8A HCS 0.04305 0.41094 2.5974
10 3BY9 SIN 0.01831 0.43202 2.69231
11 1DKU AP2 0.01401 0.42146 2.92208
12 3HQP FDP 0.04389 0.40064 2.92208
13 3SIX GDP 0.03251 0.40399 3.0303
14 4YMX ARG 0.04297 0.40113 3.07692
15 2Z4T C5P 0.01548 0.42426 3.24675
16 4BC5 5FX 0.0157 0.4237 3.24675
17 2YX1 SFG 0.01641 0.41547 3.24675
18 4CP8 MLI 0.03995 0.41044 3.24675
19 3VSV XYS 0.03227 0.40884 3.24675
20 1NE7 16G 0.01092 0.44102 3.46021
21 2X1L ADN 0.0427 0.40127 3.57143
22 4DS0 A2G GAL NAG FUC 0.01884 0.41726 3.68098
23 1WLJ U5P 0.03835 0.40524 3.7037
24 2BZZ AP5 0.01818 0.4007 3.7037
25 3ITA AIC 0.01196 0.44301 3.8961
26 2NNJ 225 0.0293 0.41362 3.8961
27 4BWL MN9 0.0151 0.43558 3.94737
28 2WPB ZZI 0.01422 0.4348 3.94737
29 4DSU BZI 0.03113 0.41652 4.54545
30 4AFK FLC 0.02547 0.41188 4.54545
31 2JK0 ASP 0.01087 0.44317 4.87013
32 1CZA GLC 0.04382 0.40424 4.87013
33 3I7V B4P 0.01732 0.45325 5.22388
34 3I7V ATP 0.03127 0.41738 5.22388
35 2RCA GLY 0.02366 0.41892 5.47945
36 5LNE A2G GAL 0.03403 0.40018 5.4878
37 3IWK NAD 0.02043 0.40124 5.51948
38 4YRY NAD 0.000000008948 0.53104 5.7971
39 4AZT SAM 0.01868 0.40307 5.84416
40 4AZW SAM 0.01782 0.4011 5.84416
41 1KZL CRM 0.004694 0.45103 6.25
42 1Y7P RIP 0.003907 0.44452 6.27803
43 5O0X FAD 0.00001052 0.58736 6.52921
44 5ARK UMP 0.0275 0.41917 6.71642
45 4YHB FAD 0.0008048 0.44397 6.95971
46 4ZYB 4SQ 0.04805 0.40208 7.46269
47 2RNF UM3 0.04404 0.40882 7.5
48 1VHZ APR 0.04318 0.40883 7.57576
49 4WQM FAD 0.0000002258 0.60285 8.11688
50 2YJP CYS 0.04526 0.40819 8.59107
51 1T9M FMN 0.01749 0.40746 8.8785
52 4ONT SIA GAL BGC 0.006358 0.45344 9.30233
53 2QQC AG2 0.01977 0.42828 11.3208
54 1N13 AG2 0.01506 0.43505 11.5385
55 3COB ADP 0.04486 0.40896 12.013
56 2PIA FMN 0.00002494 0.53049 12.3377
57 3OZV FAD 0.00003296 0.43404 12.6623
58 3OZV ECN 0.0001123 0.40166 12.6623
59 5LKC FUC GLA A2G 0.04073 0.40342 12.987
60 4RHS SIA SIA GAL 0.02034 0.42434 13.9344
61 1QX4 FAD 0.00000007707 0.56678 15.5844
62 1FQK ALF 0.02609 0.42134 15.6463
63 1PVC ILE SER GLU VAL 0.004477 0.467 16.2362
64 4G1V FAD 0.000001004 0.47969 17.5325
65 3W2E FAD 0.000000007426 0.5661 20.4545
66 3W2E NAD 0.000000007426 0.5661 20.4545
67 2EIX FAD 0.00005826 0.48317 20.7792
68 1KRH FAD 0.00000005452 0.65093 21.7532
69 2CND FAD 0.000001492 0.58586 22.0779
70 3A3B FMN 0.00573 0.45123 22.4026
71 3A3B RBF 0.00819 0.44303 22.4026
72 1A8P FAD 0.0000008788 0.59627 25
73 3CRZ NAP 0.00000000004152 0.67264 25.3247
74 3CRZ FAD 0.0000003001 0.6105 25.3247
75 1TLL FAD 0.0000000008043 0.73384 29.8701
76 1F20 FAD 0.000000002375 0.71255 29.8701
77 1F20 NAP 0.000003188 0.59809 29.8701
78 1TLL NAP 0.000007529 0.5278 29.8701
79 4DQL NAP 0.000000000008759 0.67742 30.1948
80 4DQL FAD 0.00000001788 0.64297 30.1948
81 4U9U FAD 0.00000001043 0.6753 33.0961
82 5GXU FAD 0.00000003072 0.61406 34.0909
83 1DDG FAD 0.00000004715 0.6462 34.7403
84 3FJO FAD 0.000000009066 0.7038 35.7143
85 2QTZ FAD 0.00000001492 0.6936 35.7143
86 2QTZ NAP 0.0000000001783 0.65631 35.7143
87 5FA6 FMN 0.00000000004649 0.49753 35.7143
88 5FA6 FAD 0.00000000004649 0.49753 35.7143
89 5FA6 NAP 0.00000000005007 0.49354 35.7143
90 3QFS FAD 0.00000000001977 0.66629 36.039
91 3QFS NAP 0.00000000001977 0.66629 36.039
Pocket No.: 3; Query (leader) PDB : 1QFY; Ligand: FAD; Similar sites found: 21
This union binding pocket(no: 3) in the query (biounit: 1qfy.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5E6O TRP GLU GLU LEU 0.01919 0.42239 None
2 5CLO NS8 0.04944 0.40641 None
3 1M2Z BOG 0.01836 0.40713 1.94553
4 2RC8 DSN 0.01818 0.42603 2.04082
5 2J0B UDP 0.0364 0.41065 2.14286
6 5N53 8NB 0.04652 0.40818 2.5641
7 2GJP MAL 0.01472 0.43954 2.5974
8 3JYY PPV 0.04637 0.4046 2.78746
9 1XVB BHL BHL 0.04921 0.40983 2.94118
10 1WK8 VMS 0.02904 0.40904 3.09278
11 3PA8 621 0.04502 0.40642 3.14961
12 2WQ4 SFU 0.02282 0.40657 3.84615
13 4AG5 ADP 0.03077 0.41708 3.8961
14 5A2Z GTP 0.03613 0.40776 4.54545
15 3MQ2 SAH 0.01115 0.41568 4.58716
16 1CZA G6P 0.04081 0.40133 4.87013
17 4YMU ATP 0.04464 0.40283 5.83333
18 1R1Q ACE ARG GLU PTR VAL ASN VAL 0.04316 0.41237 7
19 2BOS GLA GAL GLC NBU 0.04775 0.40324 7.35294
20 5GZZ GSH 0.03533 0.4145 7.46753
21 2HCJ GDP 0.04983 0.40026 8.10811
Pocket No.: 4; Query (leader) PDB : 1QFY; Ligand: NAP; Similar sites found: 20
This union binding pocket(no: 4) in the query (biounit: 1qfy.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5E6O TRP GLU GLU LEU 0.01919 0.42239 None
2 5CLO NS8 0.04944 0.40641 None
3 1M2Z BOG 0.01836 0.40713 1.94553
4 2RC8 DSN 0.01818 0.42603 2.04082
5 2J0B UDP 0.0364 0.41065 2.14286
6 5N53 8NB 0.04652 0.40818 2.5641
7 3JYY PPV 0.04637 0.4046 2.78746
8 1XVB BHL BHL 0.04921 0.40983 2.94118
9 1WK8 VMS 0.02904 0.40904 3.09278
10 3PA8 621 0.04502 0.40642 3.14961
11 2WQ4 SFU 0.02282 0.40657 3.84615
12 4AG5 ADP 0.03077 0.41708 3.8961
13 5A2Z GTP 0.03613 0.40776 4.54545
14 3MQ2 SAH 0.01115 0.41568 4.58716
15 1CZA G6P 0.04081 0.40133 4.87013
16 4YMU ATP 0.04464 0.40283 5.83333
17 1BGV GLU 0.03815 0.41216 6.16883
18 1R1Q ACE ARG GLU PTR VAL ASN VAL 0.04316 0.41237 7
19 2BOS GLA GAL GLC NBU 0.04775 0.40324 7.35294
20 5GZZ GSH 0.03533 0.4145 7.46753
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