Receptor
PDB id Resolution Class Description Source Keywords
5SVV 2.1 Å NON-ENZYME: OTHER STRUCTURE AND KINETICS OF THE LOV DOMAIN OF ZEITLUPE DETERMI CIRCADIAN FUNCTION IN ARABIDOPSIS ARABIDOPSIS THALIANA LOV KINETICS PAS DOMAIN PHOTORECEPTOR CIRCADIAN CLOCK PR
Ref.: KINETICS OF THE LOV DOMAIN OF ZEITLUPE DETERMINE IT CIRCADIAN FUNCTION IN ARABIDOPSIS. ELIFE V. 6 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:5201;
B:5201;
C:5201;
D:5201;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
ACT B:5202;
A:5202;
C:5202;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GOL C:5203;
A:5203;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5SVV 2.1 Å NON-ENZYME: OTHER STRUCTURE AND KINETICS OF THE LOV DOMAIN OF ZEITLUPE DETERMI CIRCADIAN FUNCTION IN ARABIDOPSIS ARABIDOPSIS THALIANA LOV KINETICS PAS DOMAIN PHOTORECEPTOR CIRCADIAN CLOCK PR
Ref.: KINETICS OF THE LOV DOMAIN OF ZEITLUPE DETERMINE IT CIRCADIAN FUNCTION IN ARABIDOPSIS. ELIFE V. 6 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5SVG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5SVV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5SVW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5SVG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5SVV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5SVW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5SVG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5SVV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5SVW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5SVV; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5svv.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5SVV; Ligand: FMN; Similar sites found: 134
This union binding pocket(no: 2) in the query (biounit: 5svv.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QKQ MAN 0.0001268 0.49169 None
2 3KP6 SAL 0.01016 0.44023 None
3 1LRI CLR 0.001058 0.43922 None
4 1QY1 PRZ 0.001606 0.42776 None
5 1MDC PLM 0.001865 0.42685 None
6 4XBT FLC 0.004256 0.41503 None
7 4XBT 3ZQ 0.004436 0.41423 None
8 3X01 AMP 0.01759 0.41164 None
9 3KRR DQX 0.02779 0.40935 None
10 1A78 TDG 0.0146 0.40643 None
11 4ZOM 4Q3 0.04538 0.40397 None
12 1WUB OTP 0.009518 0.41849 1.45985
13 5N87 N66 0.008876 0.41269 2.18978
14 1TZD ADP 0.0187 0.40808 2.18978
15 5C5T AKG 0.02143 0.40149 2.18978
16 4JNJ BTN 0.007732 0.41091 2.6087
17 1KJ1 MAN 0.01816 0.40791 2.75229
18 3PUR 2HG 0.001051 0.47649 2.91971
19 5LIA 6XN 0.007656 0.43903 2.91971
20 2W5P CL8 0.008172 0.43199 2.91971
21 1X0P FAD 0.001258 0.41339 2.91971
22 1ZHX HC3 0.006051 0.4097 2.91971
23 5UC9 MYR 0.01644 0.40726 2.91971
24 1GT4 UNA 0.007847 0.40684 2.91971
25 5HV0 AKG 0.001584 0.40639 2.91971
26 4O4Z N2O 0.02546 0.40334 2.91971
27 4O4K 2PK 0.002565 0.40232 2.91971
28 5L2J 70E 0.03581 0.40634 3.06122
29 5L2J 6UL 0.03391 0.40634 3.06122
30 1GQG DCD 0.0003515 0.45786 3.64964
31 4FFG LBS 0.004623 0.44313 3.64964
32 3KU0 ADE 0.01113 0.42872 3.64964
33 2GC0 PAN 0.003032 0.42153 3.64964
34 3T58 FAD 0.005704 0.41643 3.64964
35 1SW1 PBE 0.01644 0.41155 3.64964
36 1M2Z BOG 0.03579 0.41097 3.64964
37 5C3R AKG 0.006102 0.4081 3.64964
38 5C3R HMU 0.006102 0.4081 3.64964
39 2GJ5 VD3 0.01332 0.40686 3.64964
40 3ZJX BOG 0.02719 0.40485 3.64964
41 1BHX ASP PHE GLU GLU ILE 0.01153 0.41069 3.80952
42 1YRX FMN 0.001309 0.44199 4.13223
43 4BVA T3 0.002857 0.43947 4.37956
44 2GU8 796 0.01246 0.42134 4.37956
45 4MGA 27L 0.01171 0.42047 4.37956
46 5LY2 OGA 0.01878 0.4128 4.37956
47 3GQT UFO 0.01376 0.403 4.37956
48 3D91 REM 0.04015 0.40094 4.37956
49 2HFK E4H 0.02722 0.40034 4.37956
50 5AIG VPR 0.01053 0.4126 4.8
51 1Y75 NAG 0.01997 0.40303 5.08475
52 4MRP GSH 0.004932 0.46095 5.10949
53 1EPB REA 0.001222 0.44334 5.10949
54 5HCY 60D 0.004602 0.43306 5.10949
55 5EOB 5QQ 0.02366 0.40734 5.10949
56 1SR7 MOF 0.01147 0.40418 5.10949
57 1SQI 869 0.009574 0.40293 5.10949
58 1T0S BML 0.01056 0.40183 5.10949
59 3A6T 8OG 0.005464 0.41396 5.42636
60 3I27 SID 0.009927 0.42289 5.83942
61 3PGU OLA 0.007678 0.41928 5.83942
62 3ZH4 FLC 0.01982 0.41629 5.83942
63 5DEY 59T 0.01728 0.4131 5.83942
64 1OJJ GLC GAL 0.01411 0.41058 5.83942
65 4XWM CBI 0.0248 0.40425 5.83942
66 5E89 TD2 0.009463 0.40316 5.83942
67 2NLR BGC BGC G2F SHG 0.01146 0.40298 5.83942
68 4YZC STU 0.01639 0.40275 5.83942
69 1KGI T4A 0.00792 0.40154 6.29921
70 1DZK PRZ 0.0006833 0.45474 6.56934
71 4DSU BZI 0.003529 0.45148 6.56934
72 1TT8 PHB 0.003 0.42297 6.56934
73 3KDU NKS 0.006289 0.42276 6.56934
74 5EW9 5VC 0.0434 0.41488 6.56934
75 1UWK NAD 0.02006 0.4069 6.56934
76 1UWK URO 0.02006 0.4069 6.56934
77 5U9J GER 0.003183 0.44284 7.29927
78 2X4Z X4Z 0.004109 0.42658 7.29927
79 5A5W GUO 0.00751 0.4213 7.29927
80 2BCG GER 0.009498 0.41918 7.29927
81 5MBC FMN 0.001272 0.4185 7.29927
82 3JQ3 ADP 0.009226 0.4154 7.29927
83 3EXS 5RP 0.01861 0.40053 7.29927
84 4Z28 BTN 0.01147 0.4108 7.46269
85 2Z77 HE7 0.001805 0.42367 8.0292
86 4B0T ADP 0.005303 0.41066 8.0292
87 4D4U FUC NDG GAL FUC 0.01923 0.40994 8.0292
88 2IOR ADP 0.01777 0.40991 8.0292
89 1VJY 460 0.00971 0.40741 8.0292
90 4CNO 9PY 0.0238 0.40489 8.0292
91 4WVW SLT 0.001226 0.46621 8.75912
92 2AG4 LP3 0.01381 0.42273 8.75912
93 2AG4 OLA 0.01271 0.42238 8.75912
94 1ERB ETR 0.004468 0.41694 8.75912
95 2CDO GAL AAL GAL AAL GAL AAL 0.03365 0.4032 8.75912
96 4RW3 PLM 0.02487 0.42979 9.48905
97 2XMY CDK 0.01977 0.41715 9.48905
98 1PS9 FAD 0.01183 0.41412 9.48905
99 4XV1 904 0.01368 0.40194 9.48905
100 4CQE CQE 0.0179 0.401 9.48905
101 5BVE 4VG 0.0319 0.40518 10.219
102 2HFP NSI 0.007917 0.40155 10.219
103 1OGX EQU 0.00731 0.41204 10.687
104 5EYW PGA 0.01705 0.40646 10.9489
105 2HK9 SKM 0.02374 0.40493 10.9489
106 3RGA LSB 0.000241 0.44101 11.6788
107 2QES ADE 0.01425 0.42295 11.6788
108 3QCQ 3Q0 0.04612 0.408 11.6788
109 2CYC TYR 0.0266 0.40049 11.6788
110 1TUK PGM 0.01684 0.40265 11.9403
111 2B3B GLC 0.02176 0.40115 12.4088
112 2B3B BGC 0.02259 0.40034 12.4088
113 3VQ2 LP4 LP5 MYR DAO 0.005166 0.43074 13.8686
114 5AWM ANP 0.01208 0.40969 13.8686
115 3G5D 1N1 0.009662 0.42344 14.5985
116 5MZI FAD 0.04001 0.4004 14.5985
117 5MZI FYK 0.04119 0.4004 14.5985
118 5U98 1KX 0.02238 0.41197 16.7883
119 5BYZ 4WE 0.0128 0.40083 16.7883
120 2B9I ADP 0.00873 0.40122 17.5182
121 3G58 988 0.01826 0.40094 17.5182
122 3T4L ZEA 0.001156 0.42282 18.2482
123 4BKJ STI 0.01294 0.40061 18.2482
124 3HP9 CF1 0.008928 0.4332 24.0876
125 3EWK FAD 0.00002402 0.4976 30.6569
126 2WKQ FMN 0.00000000000001654 0.87264 38.6861
127 2GJ3 FAD 0.0006865 0.47725 40
128 4GCZ FMN 0.000000000000002331 0.90697 40.146
129 4R38 RBF 0.0000000000003579 0.83393 40.146
130 4WUJ FMN 0.0000000000001881 0.82967 43.0657
131 2PR5 FMN 0.000000000000008216 0.91733 45.4545
132 3T50 FMN 0.00000000000001033 0.91298 46.0938
133 4EES FMN 0.00000000000001388 0.89354 46.9565
134 3P7N FMN 0.000000000006331 0.7926 48.9051
Pocket No.: 3; Query (leader) PDB : 5SVV; Ligand: FMN; Similar sites found: 22
This union binding pocket(no: 3) in the query (biounit: 5svv.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4H07 IPH 0.008845 0.40667 None
2 4CPH LH4 0.01125 0.40335 1.5748
3 3SHZ 5CO 0.00815 0.41802 2.18978
4 1SN0 T44 0.00485 0.4245 2.30769
5 4P8K FAD 0.03375 0.40399 2.91971
6 4P8K 38C 0.03676 0.40281 2.91971
7 4XLI 1N1 0.01036 0.40137 3.64964
8 3DGY 2GP 0.02361 0.40443 4.12371
9 2YBP 2HG 0.0249 0.40559 4.37956
10 2OS2 OGA 0.02823 0.40237 4.37956
11 4MNP SLB 0.009069 0.41161 5.10949
12 5EVY SAL 0.01887 0.41063 5.83942
13 3L5R 47X 0.02589 0.42065 6.55738
14 2CHG ANP 0.001335 0.43118 7.29927
15 5FBN 5WF 0.01494 0.40135 8.0292
16 5KOH HCA 0.03205 0.40027 8.75912
17 2A4W BLM 0.008779 0.40548 9.48905
18 2J3M PRI 0.006955 0.40398 10.219
19 1DZT ATY 0.02992 0.40129 10.219
20 2BTM PGA 0.02025 0.40272 10.9489
21 4YMZ 13P 0.02084 0.40209 13.1387
22 4HEE 14R 0.004848 0.4055 18.9781
Pocket No.: 4; Query (leader) PDB : 5SVV; Ligand: FMN; 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: 5svv.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback