Receptor
PDB id Resolution Class Description Source Keywords
5EFW 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LOV2-ZDK1 - THE COMPLEX OF OAT LOV2 AND AFFIBODY PROTEIN ZDARK1 AVENA SATIVA LOV DOMAIN PHOTORECEPTOR AFFIBODY OPTOGENETIC TOOL SIGNAPROTEIN
Ref.: LOVTRAP: AN OPTOGENETIC SYSTEM FOR PHOTOINDUCED PRO DISSOCIATION. NAT.METHODS V. 13 755 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:101;
A:602;
B:102;
A:603;
A:605;
A:604;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
FMN A:601;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EFW 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LOV2-ZDK1 - THE COMPLEX OF OAT LOV2 AND AFFIBODY PROTEIN ZDARK1 AVENA SATIVA LOV DOMAIN PHOTORECEPTOR AFFIBODY OPTOGENETIC TOOL SIGNAPROTEIN
Ref.: LOVTRAP: AN OPTOGENETIC SYSTEM FOR PHOTOINDUCED PRO DISSOCIATION. NAT.METHODS V. 13 755 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5EFW - 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 5DJU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5EFW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5DJT - 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 5DJU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5EFW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5DJT - 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 : 5EFW; Ligand: FMN; Similar sites found: 115
This union binding pocket(no: 1) in the query (biounit: 5efw.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MDC PLM 0.0009825 0.44281 None
2 4JNJ BTN 0.002618 0.43069 None
3 1LRI CLR 0.003888 0.41839 None
4 2Z77 HE7 0.003407 0.41555 None
5 2X32 OTP 0.01763 0.41246 None
6 1WUB OTP 0.01639 0.41052 None
7 2X34 UQ8 0.01983 0.41001 None
8 2A4W BLM 0.009951 0.40623 None
9 2HFN FMN 0.001294 0.42714 2.06897
10 1EPB REA 0.003688 0.41974 2.75862
11 5MKG C2E 0.006056 0.4115 2.75862
12 2JLD AG1 0.01321 0.40566 2.75862
13 5A5W GUO 0.004127 0.43672 3.44828
14 3KP6 SAL 0.01117 0.43587 3.44828
15 2GJ5 VD3 0.01335 0.40986 3.44828
16 2X4Z X4Z 0.003392 0.43388 4.13793
17 3E8N ATP 0.02279 0.40461 4.13793
18 3E8N VRA 0.02279 0.40461 4.13793
19 2B9I ADP 0.006074 0.40631 4.82759
20 4QMN DB8 0.01725 0.40258 4.82759
21 3L5R 47X 0.02231 0.42671 5
22 5VAD 91Y 0.01592 0.40077 5
23 4TW7 37K 0.007266 0.40951 5.46875
24 1GQG DCD 0.001085 0.44094 5.51724
25 4B0T ADP 0.006156 0.41119 5.51724
26 5DRB 5FJ 0.02301 0.40527 5.51724
27 4P8K FAD 0.04548 0.40023 5.51724
28 4P8K 38C 0.04679 0.40023 5.51724
29 5D48 L96 0.002946 0.42694 6.2069
30 3OPT AKG 0.02787 0.40105 6.2069
31 5EOB 5QQ 0.03154 0.40408 6.66667
32 1DZK PRZ 0.001455 0.43787 6.89655
33 1QY1 PRZ 0.002095 0.4266 6.89655
34 5JFS 6K0 0.02278 0.40099 6.89655
35 3EW2 BTN 0.0009321 0.40821 7.40741
36 3PUR 2HG 0.0001511 0.5187 7.58621
37 4BVA T3 0.001985 0.45046 7.58621
38 2LBD REA 0.004239 0.41836 7.58621
39 1FCZ 156 0.006083 0.40983 7.58621
40 4GJ3 0XP 0.01222 0.40479 7.58621
41 1SZO CAX 0.02287 0.40303 7.58621
42 4XTX 590 0.0006327 0.46297 8.33333
43 5U9J GER 0.001973 0.45677 8.33333
44 4FFG LBS 0.003539 0.4412 8.33333
45 5DQ8 FLF 0.009047 0.40223 8.33333
46 1WBI BTN 0.00315 0.4009 8.52713
47 1M15 ADP 0.003348 0.43414 9.65517
48 1M15 ARG 0.003348 0.43414 9.65517
49 3T58 FAD 0.005101 0.42199 9.65517
50 5LIA 6XN 0.01176 0.43306 10
51 4RW3 PLM 0.0238 0.42404 10
52 1JLX GAL A2G MBN 0.02194 0.40513 10
53 3SXF BK5 0.007684 0.41762 10.3448
54 5MBC FMN 0.001211 0.42521 11.0345
55 1MV8 GDX 0.008886 0.40412 11.0345
56 3TKI S25 0.01082 0.42584 11.6667
57 1VJY 460 0.01127 0.40762 11.6667
58 1ERB ETR 0.00991 0.40493 11.6667
59 3E9I XAH 0.01257 0.40297 11.6667
60 2AG4 LP3 0.004796 0.4482 11.7241
61 2AG4 OLA 0.004316 0.4482 11.7241
62 3KU0 ADE 0.01443 0.42047 11.7241
63 4QXB OGA 0.0002549 0.42022 11.7241
64 2J3M PRI 0.00966 0.40097 11.7241
65 5XDT ZI7 0.01118 0.40259 12.4138
66 4OYA 1VE 0.04078 0.40441 13.1034
67 2CHG ANP 0.003581 0.41648 13.3333
68 1U6R ADP 0.002863 0.41201 13.3333
69 3D91 REM 0.04522 0.40157 13.3333
70 4YZC STU 0.02025 0.4004 13.3333
71 1KGI T4A 0.005522 0.41168 14.1732
72 4BG4 ADP 0.001074 0.43936 15
73 2GC0 PAN 0.002184 0.41651 15
74 2IID FAD 0.02473 0.41133 15
75 2IID PHE 0.02473 0.41133 15
76 4NG2 OHN 0.008053 0.40602 15
77 1ZDT PEF 0.01046 0.40388 15
78 3ITJ FAD 0.03288 0.40248 15
79 5C5T AKG 0.01907 0.40228 15
80 4B7S QLE 0.01284 0.40124 15
81 2Y6Q I7T 0.02748 0.404 15.1724
82 5HCY 60D 0.00623 0.43033 15.8621
83 1T0S BML 0.01374 0.40512 16.5517
84 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.03978 0.40052 16.5517
85 2JDR L20 0.03978 0.40052 16.5517
86 1X0P FAD 0.0007205 0.42788 16.6667
87 2QZZ NAP 0.02054 0.40214 16.6667
88 4Z28 BTN 0.001228 0.45583 17.1642
89 3WYJ H78 0.005304 0.44884 18.3333
90 4G31 0WH 0.006868 0.41865 18.3333
91 2XMY CDK 0.04121 0.40418 18.3333
92 5HES 032 0.008944 0.40084 18.3333
93 5K13 6Q7 0.002946 0.42016 20
94 5MZI FYK 0.02358 0.41499 20
95 3Q9T FAY 0.02191 0.40083 20.6897
96 5U98 1KX 0.02484 0.41258 21.6667
97 1PS9 FAD 0.01857 0.40795 21.6667
98 3DLG GWE 0.01584 0.42415 22.069
99 3VQ2 LP4 LP5 MYR DAO 0.01611 0.41087 23.3333
100 4XV1 904 0.01079 0.40969 23.3333
101 4CQE CQE 0.01572 0.40655 23.3333
102 3B6R ADP 0.003237 0.40472 23.3333
103 3QCQ 3Q0 0.04651 0.41036 23.4483
104 5DEY 59T 0.01031 0.42685 24.8276
105 4F4P 0SB 0.03514 0.4045 24.8276
106 5U3B 7TD 0.01212 0.40368 27.5862
107 3T4L ZEA 0.001792 0.42063 30
108 1M2Z BOG 0.03812 0.40633 31.6667
109 3EWK FAD 0.00001669 0.51277 31.7241
110 3ZJX BOG 0.01686 0.41411 36.6667
111 2GJ3 FAD 0.01545 0.42719 37.5
112 3P7N FMN 0.0000000000007683 0.82762 40.6897
113 4WUJ FMN 0.0000000000006725 0.8301 41.3793
114 4R38 RBF 0.000000000002591 0.80936 44.2857
115 4GCZ FMN 0.00000000000001099 0.90686 48.2759
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