Receptor
PDB id Resolution Class Description Source Keywords
5VW2 1.45 Å EC: 1.18.1.2 NADPH SOAK OF Y316S MUTANT OF CORN ROOT FERREDOXIN:NADP+ RED ZEA MAYS FLAVOENZYME HYDRIDE TRANSFER PHOTOSYNTHESIS ACTIVE SITE COMPRESSION TRANSFERASE OXIDOREDUCTASE
Ref.: HIGH RESOLUTION STUDIES OF HYDRIDE TRANSFER IN THE FERREDOXIN:NADP(+) REDUCTASE SUPERFAMILY. FEBS J. 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
ACT A:402;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
NAP A:404;
Valid;
Atoms found MORE than expected: % Diff = 2;
Kd < 0.02 uM
743.405 C21 H28 N7 O17 P3 c1cc(...
FDA A:403;
Valid;
none;
submit data
787.566 C27 H35 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5VW2 1.45 Å EC: 1.18.1.2 NADPH SOAK OF Y316S MUTANT OF CORN ROOT FERREDOXIN:NADP+ RED ZEA MAYS FLAVOENZYME HYDRIDE TRANSFER PHOTOSYNTHESIS ACTIVE SITE COMPRESSION TRANSFERASE OXIDOREDUCTASE
Ref.: HIGH RESOLUTION STUDIES OF HYDRIDE TRANSFER IN THE FERREDOXIN:NADP(+) REDUCTASE SUPERFAMILY. FEBS J. 2017
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 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)....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 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)....
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: 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
Ligand no: 2; Ligand: FDA; Similar ligands found: 132
No: Ligand ECFP6 Tc MDL keys Tc
1 FDA 1 1
2 FNK 0.691781 0.965517
3 F2N 0.647436 0.976744
4 FAD 0.641892 0.906977
5 FAS 0.641892 0.906977
6 SFD 0.630872 0.787879
7 6FA 0.61745 0.896552
8 6YU 0.586207 0.903226
9 RFL 0.585987 0.876405
10 FAD NBT 0.584906 0.902174
11 FAY 0.579618 0.895349
12 CNV FAD 0.578616 0.954023
13 62F 0.573248 0.895349
14 FA9 0.554217 0.918605
15 FAD CNX 0.551515 0.873684
16 FAD NBA 0.549708 0.882979
17 P5F 0.545455 0.920455
18 FNR 0.532258 0.892857
19 A2D 0.516667 0.833333
20 APR 0.5 0.811765
21 AR6 0.5 0.811765
22 M33 0.496 0.823529
23 BA3 0.495935 0.833333
24 P6G FDA 0.494186 0.827957
25 DAL FAD PER 0.494118 0.865169
26 B4P 0.491935 0.833333
27 AP5 0.491935 0.833333
28 ANP 0.488372 0.813953
29 SAP 0.484375 0.795455
30 AGS 0.484375 0.795455
31 ATP 0.480315 0.833333
32 ADP 0.48 0.833333
33 48N 0.479167 0.818182
34 FB0 0.478261 0.819149
35 5FA 0.476562 0.833333
36 AQP 0.476562 0.833333
37 AN2 0.47619 0.823529
38 GTA 0.475524 0.831461
39 AD9 0.472868 0.813953
40 3OD 0.471014 0.835294
41 FAE 0.46988 0.896552
42 ATF 0.469697 0.804598
43 AP0 0.469388 0.860465
44 ACP 0.46875 0.835294
45 OAD 0.467153 0.835294
46 A1R 0.463235 0.827586
47 PAJ 0.463235 0.808989
48 G3A 0.461538 0.83908
49 T5A 0.46 0.896552
50 A22 0.459259 0.845238
51 G5P 0.458333 0.83908
52 ACQ 0.454545 0.835294
53 PRX 0.453846 0.793103
54 5AL 0.451128 0.823529
55 CA0 0.449612 0.813953
56 ADX 0.449612 0.741935
57 50T 0.446154 0.802326
58 8QN 0.445255 0.823529
59 ABM 0.444444 0.790698
60 A 0.443548 0.809524
61 AMP 0.443548 0.809524
62 OMR 0.442953 0.782609
63 TXE 0.442953 0.892857
64 ADQ 0.442029 0.813953
65 AMO 0.442029 0.825581
66 139 0.440789 0.862069
67 ADJ 0.440789 0.822222
68 ME8 0.439716 0.771739
69 BIS 0.439716 0.786517
70 TXA 0.439716 0.825581
71 PTJ 0.439716 0.818182
72 AFH 0.438356 0.788889
73 A4P 0.437086 0.876405
74 TXD 0.436242 0.870588
75 UP5 0.436242 0.880952
76 NXX 0.436242 0.825581
77 6V0 0.436242 0.882353
78 DND 0.436242 0.825581
79 5SV 0.434783 0.758242
80 SRP 0.433824 0.804598
81 4AD 0.431655 0.816092
82 P1H 0.430303 0.842697
83 FYA 0.429577 0.823529
84 AHX 0.428571 0.797753
85 SRA 0.428571 0.772727
86 P33 FDA 0.427778 0.821053
87 MAP 0.427536 0.795455
88 AU1 0.427481 0.813953
89 NAI 0.426667 0.870588
90 25L 0.426573 0.845238
91 A12 0.426357 0.825581
92 AP2 0.426357 0.825581
93 AMP MG 0.425197 0.75
94 EAD 0.423313 0.862069
95 COD 0.423077 0.806452
96 PR8 0.422535 0.8
97 TAT 0.422222 0.804598
98 4TC 0.421053 0.882353
99 APC 0.421053 0.825581
100 NB8 0.41958 0.797753
101 1ZZ 0.41958 0.771739
102 4UU 0.418919 0.837209
103 00A 0.41844 0.786517
104 RBY 0.41791 0.804598
105 ADV 0.41791 0.804598
106 A3D 0.417722 0.835294
107 NAX 0.417219 0.862069
108 ADP MG 0.416667 0.761364
109 25A 0.414286 0.833333
110 OOB 0.414286 0.823529
111 ADP BEF 0.413534 0.744444
112 BEF ADP 0.413534 0.744444
113 ANP MG 0.413043 0.755556
114 LAD 0.412587 0.788889
115 UPA 0.411765 0.870588
116 CNA 0.410256 0.825581
117 DLL 0.408451 0.823529
118 XAH 0.408163 0.771739
119 4UW 0.407895 0.829545
120 ADP PO3 0.407407 0.788235
121 3UK 0.405594 0.835294
122 4UV 0.405405 0.837209
123 TYM 0.405229 0.825581
124 NAD 0.405063 0.823529
125 ATP MG 0.404412 0.761364
126 9SN 0.40411 0.797753
127 ADP VO4 0.402878 0.781609
128 VO4 ADP 0.402878 0.781609
129 WAQ 0.402778 0.806818
130 FA5 0.401361 0.825581
131 YAP 0.401361 0.816092
132 YLP 0.401316 0.793478
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5VW2; Ligand: NAP; Similar sites found: 56
This union binding pocket(no: 1) in the query (biounit: 5vw2.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BWL MN9 0.02167 0.43117 1.97368
2 5UDS ATP 0.009969 0.43911 2.7972
3 1T9M FMN 0.02706 0.40308 2.80374
4 3VSV XYS 0.01431 0.43604 3.16456
5 5DCH 1YO 0.04771 0.41095 3.64583
6 1M0S CIT 0.02883 0.41863 3.65297
7 3MQ2 SAH 0.0267 0.40336 4.12844
8 3SJK LYS PRO VAL LEU ARG THR ALA 0.03597 0.41897 4.21053
9 2CBZ ATP 0.04626 0.40572 4.21941
10 4F07 FAD 0.01921 0.40436 4.73684
11 4NS0 PIO 0.01731 0.44631 5.26316
12 1QKQ MAN 0.04235 0.4039 5.6338
13 3BY9 SIN 0.01997 0.43516 5.76923
14 2BVE PH5 0.006791 0.4658 6.72269
15 2BOS GLA GAL GLC NBU 0.04755 0.40947 7.35294
16 2BOS GLA GAL GLC 0.04981 0.40808 7.35294
17 4RHS SIA SIA GAL 0.0344 0.42235 7.37705
18 4DS0 A2G GAL NAG FUC 0.01282 0.44327 7.97546
19 5LNE A2G GAL 0.03196 0.41157 8.53659
20 3P13 RIP 0.02079 0.42769 9.02778
21 5JSQ 6MS 0.04254 0.40251 9.25926
22 4YRY NAD 0.00000001502 0.57709 9.42029
23 4AG5 ADP 0.04869 0.41114 10.1266
24 5IL1 SAM 0.01124 0.41825 11.3208
25 3CRZ NAP 0.0000000002445 0.60635 13.2296
26 3CRZ FAD 0.000001993 0.424 13.2296
27 1N13 AG2 0.04967 0.41056 14.1593
28 3OZV FAD 0.00007502 0.4474 14.2405
29 3OZV ECN 0.0002296 0.43523 14.2405
30 3W2E NAD 0.000000008839 0.57308 16.2362
31 3W2E FAD 0.000000008839 0.57308 16.2362
32 4WQM FAD 0.0000004869 0.44531 19.3038
33 1KRH FAD 0.00000005834 0.45108 20.5696
34 1A8P FAD 0.000007441 0.40867 22.093
35 2CND FAD 0.00001021 0.55519 22.963
36 1QX4 FAD 0.00000009092 0.51718 24.0876
37 2QTZ NAP 0.0000000000801 0.61772 25.3165
38 2QTZ FAD 0.00000001716 0.45253 25.3165
39 2EIX FAD 0.000131 0.47546 27.1605
40 4DQL NAP 0.000000000005819 0.66759 27.2152
41 4DQL FAD 0.00000004794 0.47384 27.2152
42 1TLL NAP 0.000000111 0.47334 28.481
43 1F20 FAD 0.000000005776 0.47261 28.481
44 1TLL FAD 0.000000005259 0.47137 28.481
45 1F20 NAP 0.0000002656 0.41723 28.481
46 4G1V FAD 0.000001334 0.45212 28.7975
47 4U9U FAD 0.000000001365 0.7245 30.9609
48 4KJU 1RH 0.04984 0.41219 31.3953
49 5FA6 NAP 0.00000000009333 0.68646 31.962
50 5FA6 FAD 0.00000000008634 0.68646 31.962
51 5FA6 FMN 0.00000000008634 0.68646 31.962
52 3QFS FAD 0.00000000005301 0.63729 31.962
53 3QFS NAP 0.00000000005301 0.63729 31.962
54 5GXU FAD 0.0000001349 0.47875 31.962
55 3FJO FAD 0.00000006602 0.43341 31.962
56 1DDG FAD 0.000000161 0.63098 38.2911
Pocket No.: 2; Query (leader) PDB : 5VW2; Ligand: FDA; Similar sites found: 56
This union binding pocket(no: 2) in the query (biounit: 5vw2.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BWL MN9 0.02167 0.43117 1.97368
2 5UDS ATP 0.009969 0.43911 2.7972
3 1T9M FMN 0.02706 0.40308 2.80374
4 3VSV XYS 0.01431 0.43604 3.16456
5 5DCH 1YO 0.04771 0.41095 3.64583
6 1M0S CIT 0.02883 0.41863 3.65297
7 3MQ2 SAH 0.0267 0.40336 4.12844
8 3SJK LYS PRO VAL LEU ARG THR ALA 0.03597 0.41897 4.21053
9 2CBZ ATP 0.04626 0.40572 4.21941
10 4F07 FAD 0.01921 0.40436 4.73684
11 4NS0 PIO 0.01731 0.44631 5.26316
12 1QKQ MAN 0.04235 0.4039 5.6338
13 3BY9 SIN 0.01997 0.43516 5.76923
14 2BVE PH5 0.006791 0.4658 6.72269
15 2BOS GLA GAL GLC NBU 0.04755 0.40947 7.35294
16 2BOS GLA GAL GLC 0.04981 0.40808 7.35294
17 4RHS SIA SIA GAL 0.0344 0.42235 7.37705
18 4DS0 A2G GAL NAG FUC 0.01282 0.44327 7.97546
19 5LNE A2G GAL 0.03196 0.41157 8.53659
20 3P13 RIP 0.02079 0.42769 9.02778
21 5JSQ 6MS 0.04254 0.40251 9.25926
22 4YRY NAD 0.00000001502 0.57709 9.42029
23 4AG5 ADP 0.04869 0.41114 10.1266
24 5IL1 SAM 0.01124 0.41825 11.3208
25 3CRZ NAP 0.0000000002445 0.60635 13.2296
26 3CRZ FAD 0.000001993 0.424 13.2296
27 1N13 AG2 0.04967 0.41056 14.1593
28 3OZV FAD 0.00007502 0.4474 14.2405
29 3OZV ECN 0.0002296 0.43523 14.2405
30 3W2E NAD 0.000000008839 0.57308 16.2362
31 3W2E FAD 0.000000008839 0.57308 16.2362
32 4WQM FAD 0.0000004869 0.44531 19.3038
33 1KRH FAD 0.00000005834 0.45108 20.5696
34 1A8P FAD 0.000007441 0.40867 22.093
35 2CND FAD 0.00001021 0.55519 22.963
36 1QX4 FAD 0.00000009092 0.51718 24.0876
37 2QTZ NAP 0.0000000000801 0.61772 25.3165
38 2QTZ FAD 0.00000001716 0.45253 25.3165
39 2EIX FAD 0.000131 0.47546 27.1605
40 4DQL NAP 0.000000000005819 0.66759 27.2152
41 4DQL FAD 0.00000004794 0.47384 27.2152
42 1TLL NAP 0.000000111 0.47334 28.481
43 1F20 FAD 0.000000005776 0.47261 28.481
44 1TLL FAD 0.000000005259 0.47137 28.481
45 1F20 NAP 0.0000002656 0.41723 28.481
46 4G1V FAD 0.000001334 0.45212 28.7975
47 4U9U FAD 0.000000001365 0.7245 30.9609
48 4KJU 1RH 0.04984 0.41219 31.3953
49 5FA6 NAP 0.00000000009333 0.68646 31.962
50 5FA6 FAD 0.00000000008634 0.68646 31.962
51 5FA6 FMN 0.00000000008634 0.68646 31.962
52 3QFS FAD 0.00000000005301 0.63729 31.962
53 3QFS NAP 0.00000000005301 0.63729 31.962
54 5GXU FAD 0.0000001349 0.47875 31.962
55 3FJO FAD 0.00000006602 0.43341 31.962
56 1DDG FAD 0.000000161 0.63098 38.2911
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