Receptor
PDB id Resolution Class Description Source Keywords
1QFZ 1.7 Å EC: 1.18.1.2 PEA FNR Y308S MUTANT IN COMPLEX WITH NADPH 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...
NDP A:310;
B:810;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
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: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
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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