Receptor
PDB id Resolution Class Description Source Keywords
4WUJ 2.23 Å EC: 3.-.-.- STRUCTURAL BIOCHEMISTRY OF A FUNGAL LOV DOMAIN PHOTORECEPTOR AN EVOLUTIONARILY CONSERVED PATHWAY INTEGRATING BLUE-LIGHT O XIDATIVE STRESS HYPOCREA JECORINA LOV DOMAIN BLUE-LIGHT PHOTORECEPTOR CIRCADIAN CLOCK CIRCCLOCK PROTEIN
Ref.: STRUCTURAL BIOCHEMISTRY OF A FUNGAL LOV DOMAIN PHOT REVEALS AN EVOLUTIONARILY CONSERVED PATHWAY INTEGRA LIGHT AND OXIDATIVE STRESS. STRUCTURE V. 23 116 2015
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...
SO4 B:5202;
A:5202;
C:5202;
C:5203;
D:5202;
D:5203;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WUJ 2.23 Å EC: 3.-.-.- STRUCTURAL BIOCHEMISTRY OF A FUNGAL LOV DOMAIN PHOTORECEPTOR AN EVOLUTIONARILY CONSERVED PATHWAY INTEGRATING BLUE-LIGHT O XIDATIVE STRESS HYPOCREA JECORINA LOV DOMAIN BLUE-LIGHT PHOTORECEPTOR CIRCADIAN CLOCK CIRCCLOCK PROTEIN
Ref.: STRUCTURAL BIOCHEMISTRY OF A FUNGAL LOV DOMAIN PHOT REVEALS AN EVOLUTIONARILY CONSERVED PATHWAY INTEGRA LIGHT AND OXIDATIVE STRESS. STRUCTURE V. 23 116 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 4WUJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 4WUJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2PD8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3HJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2PDR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3HJI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2PD7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 3D72 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 4WUJ - 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 : 4WUJ; 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: 4wuj.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4WUJ; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4wuj.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4WUJ; Ligand: FMN; Similar sites found: 155
This union binding pocket(no: 3) in the query (biounit: 4wuj.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL 0.0006913 0.46458 None
2 2BOS GLA GAL GLC 0.0007741 0.45895 None
3 4WN5 MVC 0.0009175 0.44411 None
4 2YMZ LAT 0.003705 0.44013 None
5 1EPB REA 0.001402 0.4386 None
6 1QKQ MAN 0.0007732 0.43723 None
7 1ERB ETR 0.002881 0.42891 None
8 2GJ5 VD3 0.005248 0.42865 None
9 5IXH OTP 0.01152 0.41775 None
10 4IMO PWZ 0.01273 0.41732 None
11 3KP6 SAL 0.0203 0.41666 None
12 4DSU BZI 0.01676 0.41578 None
13 1GT4 UNA 0.006582 0.40843 None
14 4H07 IPH 0.00974 0.40798 None
15 1Y7P RIP 0.01792 0.40777 None
16 1A78 TDG 0.01069 0.40727 None
17 5XDT ZI7 0.008892 0.40704 None
18 5IXG OTP 0.02302 0.40609 None
19 3KU0 ADE 0.02366 0.40505 None
20 4JNJ BTN 0.01149 0.40111 None
21 5E89 TD2 0.009609 0.40103 None
22 3GUZ PAF 0.005512 0.44363 1.36054
23 5BYZ 4WE 0.005931 0.41903 1.36054
24 3E85 BSU 0.01444 0.41028 1.36054
25 3ITJ FAD 0.03157 0.40334 1.36054
26 5AIG VPR 0.01641 0.40144 1.6
27 3WYJ H78 0.003601 0.45711 2.04082
28 2Z77 HE7 0.00524 0.40746 2.15827
29 4MA6 28E 0.00343 0.44456 2.72109
30 5D9G GLU ASN LEU TYR PHE GLN 0.01665 0.40522 2.72109
31 3EW2 BTN 0.008572 0.41511 2.96296
32 4KBA 1QM 0.01869 0.40272 3.02115
33 1YRX FMN 0.009154 0.40198 3.30579
34 2AG4 OLA 0.005146 0.4445 3.40136
35 2R0D 4IP 0.002709 0.44435 3.40136
36 2AG4 LP3 0.006035 0.44334 3.40136
37 3R3V FAH 0.02272 0.40556 3.40136
38 4NS0 PIO 0.01174 0.41114 3.7594
39 1FHX 4IP 0.00599 0.42263 3.87597
40 3A6T 8OG 0.006517 0.40862 3.87597
41 3HP9 CF1 0.006545 0.43814 4.08163
42 3PUR 2HG 0.005305 0.43777 4.08163
43 1TT8 PHB 0.002814 0.42782 4.08163
44 3U1T MLI 0.01085 0.42575 4.08163
45 1YFS ALA 0.01479 0.40562 4.08163
46 2Q8C AKG 0.02314 0.40541 4.08163
47 2B3B BGC 0.01829 0.40318 4.08163
48 2B3B GLC 0.0197 0.40158 4.08163
49 4YVN EBS 0.02519 0.40118 4.08163
50 1U6R ADP 0.005375 0.40076 4.08163
51 4PYW ACE THR THR ALA ILE NH2 0.009876 0.40055 4.08163
52 2Y6Q I7T 0.03301 0.40015 4.08163
53 1R5L VIV 0.00294 0.42539 4.7619
54 3RGA LSB 0.000997 0.42438 4.7619
55 3TKI S25 0.01263 0.4226 4.7619
56 1U3R 338 0.003155 0.41882 4.7619
57 1FAO 4IP 0.01154 0.41772 4.7619
58 3KV5 OGA 0.01106 0.41663 4.7619
59 5DEY 59T 0.01812 0.41503 4.7619
60 5F1R 42O 0.005717 0.41414 4.7619
61 4NMC 2OP 0.02169 0.40004 4.7619
62 4WVW SLT 0.006159 0.43191 4.86111
63 4Z28 BTN 0.007629 0.41756 5.22388
64 2ALG DAO 0.004678 0.41142 5.43478
65 2ALG HP6 0.004678 0.41142 5.43478
66 2CHG ANP 0.00104 0.43983 5.44218
67 3H7J PPY 0.002135 0.43476 5.44218
68 2XMY CDK 0.01394 0.42753 5.44218
69 4XIZ LPP 0.006874 0.41864 5.44218
70 3G5D 1N1 0.02133 0.41306 5.44218
71 1UWK NAD 0.01802 0.41201 5.44218
72 1UWK URO 0.01802 0.41201 5.44218
73 1M5W DXP 0.02387 0.40157 5.44218
74 4CPH LH4 0.009546 0.40483 5.51181
75 3Q8G PEE 0.03348 0.40351 5.625
76 2G30 ALA ALA PHE 0.00002743 0.56842 6.12245
77 1QY1 PRZ 0.001341 0.43503 6.12245
78 1GQG DCD 0.002986 0.42171 6.12245
79 2HK9 SKM 0.01238 0.41749 6.12245
80 3R9V DXC 0.01509 0.4121 6.12245
81 4YRD 3IT 0.0135 0.41181 6.12245
82 4MGA 27L 0.02226 0.40279 6.12245
83 5FCF GLY GLY GLY 0.03775 0.40118 6.12245
84 5MKG C2E 0.001588 0.4006 6.12245
85 1DZK PRZ 0.001572 0.43637 6.80272
86 5EOB 5QQ 0.01294 0.42286 6.80272
87 4DXJ 0M9 0.008146 0.41148 6.80272
88 4YZC STU 0.0148 0.40672 6.80272
89 3LGG CFE 0.009007 0.406 6.80272
90 3SHZ 5CO 0.01706 0.40062 6.80272
91 1LRI CLR 0.01015 0.40002 7.14286
92 2A4W BLM 0.007031 0.41301 7.24638
93 2BYC FMN 0.009016 0.40598 7.29927
94 1JIF CU BLM 0.006968 0.41178 7.37705
95 2X4Z X4Z 0.003992 0.43064 7.48299
96 1SR7 MOF 0.009158 0.41173 7.48299
97 2QZZ EMF 0.01564 0.40865 7.48299
98 4S00 AKR 0.01919 0.40755 7.48299
99 2QZZ NAP 0.01746 0.40543 7.48299
100 2J8R MSL 0.02803 0.40018 7.48299
101 1MDC PLM 0.0007665 0.44753 7.57576
102 3QVP FAD 0.01329 0.41661 8.16327
103 2IID PHE 0.02222 0.4136 8.16327
104 2IID FAD 0.02222 0.4136 8.16327
105 2P1C GG3 0.01071 0.40611 8.16327
106 2Y9G LAT 0.005614 0.43645 8.84354
107 2Y9G LBT 0.005614 0.43645 8.84354
108 1VJY 460 0.01433 0.40285 8.84354
109 2ADA HPR 0.005843 0.40088 8.84354
110 3T4L ZEA 0.0009592 0.43265 9.52381
111 5A5W GUO 0.01199 0.41504 9.52381
112 3PGU OLA 0.00977 0.41236 10.2041
113 1YOK P6L 0.01286 0.40954 10.2041
114 4XT2 43L 0.0002836 0.4402 10.2564
115 5HCY 60D 0.007401 0.42681 11.5646
116 2GU8 796 0.01456 0.42112 11.5646
117 5EYP LOC 0.007101 0.40523 11.5646
118 5MRH Q9Z 0.01876 0.40264 11.5646
119 1UPR 4IP 0.02928 0.40846 12.1951
120 3FUR Z12 0.006559 0.43205 12.2449
121 3G9E RO7 0.004305 0.42914 12.2449
122 1KGI T4A 0.005291 0.4125 13.3858
123 1PS9 FAD 0.003911 0.43983 13.6054
124 4BG4 ADP 0.00171 0.42647 13.6054
125 2XXP DSL 0.03555 0.41027 13.6054
126 3MPB FRU 0.009573 0.40478 13.6054
127 5K13 6Q7 0.007769 0.40183 14.2857
128 4P8K FAD 0.01881 0.41917 14.966
129 4P8K 38C 0.0194 0.41917 14.966
130 3E9I XAH 0.008269 0.41119 14.966
131 1X7D NAD 0.009024 0.40947 14.966
132 5BVE 4VG 0.01255 0.42779 15.6463
133 4XBT 3ZQ 0.004344 0.41271 15.6463
134 4XBT FLC 0.004614 0.41156 15.6463
135 4CU1 H4B 0.02484 0.40028 15.6463
136 3JQ3 ADP 0.01053 0.41078 16.3265
137 4BVA T3 0.002297 0.44751 17.0068
138 4FFG LBS 0.004749 0.44165 17.6871
139 1SN0 T44 0.009021 0.40988 18.4615
140 2GJ3 FAD 0.02879 0.41373 22.5
141 3EWK FAD 0.0001205 0.47592 27.8912
142 4K55 H6P 0.0003565 0.49679 33.871
143 5DJT FMN 0.0000000000002423 0.84913 41.3793
144 5EFW FMN 0.0000000000006725 0.8301 41.3793
145 5DJU FMN 0.0000000000004668 0.81343 41.3793
146 2WKQ FMN 0.0000000000001638 0.85643 41.4966
147 2V0U FMN 0.0000000000003302 0.84336 41.7808
148 4GCZ FMN 0.00000000000006084 0.8749 42.1769
149 3P7N FMN 0.000000000002183 0.80816 42.8571
150 5SVV FMN 0.0000000000001881 0.82967 43.0657
151 4R38 RBF 0.0000000000001398 0.86412 44.2857
152 3T50 FMN 0.0000000000003482 0.84238 44.5312
153 4HIA FMN 0.00000000001575 0.81725 45.5782
154 5DKK FMN 0.000000000001915 0.8106 46.2069
155 2PR5 FMN 0.00000000000005618 0.87638 48.4848
Pocket No.: 4; Query (leader) PDB : 4WUJ; 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: 4wuj.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4WUJ; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4wuj.bio3) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4WUJ; Ligand: FMN; Similar sites found: 44
This union binding pocket(no: 6) in the query (biounit: 4wuj.bio3) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.004072 0.43738 None
2 5MBC FMN 0.003032 0.40803 1.36054
3 3X01 AMP 0.02394 0.4026 1.36054
4 5DG2 GAL GLC 0.005747 0.41776 2.22222
5 1TZD ADP 0.01372 0.41361 2.72109
6 3ZLR X0B 0.01317 0.41013 2.72109
7 2Z7I 742 0.03543 0.40978 2.72109
8 4Z3E GAL NGA GLA BGC GAL 0.01587 0.40834 2.72109
9 5HV0 AKG 0.002571 0.40452 2.72109
10 5EW9 5VC 0.02462 0.43029 3.40136
11 5H2U 1N1 0.01165 0.40084 3.40136
12 5IR4 ZPE 0.01112 0.41847 4.08163
13 5LY2 OGA 0.02082 0.40826 4.08163
14 5J3Z 6FQ 0.01498 0.40622 4.08163
15 4GJY OGA 0.03017 0.40118 4.08163
16 3W68 VIV 0.001953 0.40695 4.7619
17 2E5A LAQ 0.0112 0.40391 4.7619
18 4IAW LIZ 0.007856 0.41694 5.44218
19 5IF4 6AK 0.01026 0.41517 5.44218
20 1W2D ADP 0.01146 0.409 5.44218
21 3Q9T FAY 0.02216 0.40059 5.44218
22 4OCT AKG 0.01714 0.40052 5.44218
23 4WNP 3RJ 0.01157 0.40478 6.12245
24 4O4Z N2O 0.02246 0.40775 6.80272
25 4F4P 0SB 0.03582 0.40409 6.80272
26 4MNS 2AX 0.02847 0.40325 6.80272
27 2ARC ARA 0.0006373 0.40679 7.48299
28 2ZCQ B65 0.02606 0.40184 7.48299
29 3I27 SID 0.007548 0.42713 8.16327
30 3WE0 FAD 0.03947 0.4188 8.16327
31 3T58 FAD 0.00794 0.41329 8.16327
32 3WFD AXO 0.01047 0.41022 8.16327
33 4E2J MOF 0.00256 0.40298 8.16327
34 1ECM TSA 0.01087 0.41445 8.25688
35 5FU3 BGC BGC BGC 0.02385 0.40385 8.49057
36 3IES M24 0.01393 0.40687 10.2041
37 1HN4 MJI 0.04652 0.4027 11.4504
38 4OYA 1VE 0.02667 0.41359 11.5646
39 5A0U CHT 0.01881 0.40688 11.5646
40 1Y0G 8PP 0.02593 0.40107 12.2449
41 2AIB ERG 0.004995 0.41675 13.2653
42 1ZHX HC3 0.01039 0.40259 16.3265
43 1M15 ARG 0.003176 0.43519 23.8095
44 1M15 ADP 0.003176 0.43519 23.8095
Pocket No.: 7; Query (leader) PDB : 4WUJ; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4wuj.bio3) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4WUJ; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4wuj.bio3) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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