Receptor
PDB id Resolution Class Description Source Keywords
3P7N 2.1 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF LIGHT ACTIVATED TRANSCRIPTION FACTOR EL ERYTHROBACTER LITORALIS ERYTHROBACTER LITORALIS LOV DOMAIN LIGHT-ACTIVATED TRANSCRIPTION FACTOR DNA BINDIN
Ref.: STRUCTURAL BASIS OF PHOTOSENSITIVITY IN A BACTERIAL LIGHT-OXYGEN-VOLTAGE/HELIX-TURN-HELIX (LOV-HTH) DNA PROTEIN. PROC.NATL.ACAD.SCI.USA V. 108 9449 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:500;
B:500;
Valid;
Valid;
none;
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
3P7N 2.1 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF LIGHT ACTIVATED TRANSCRIPTION FACTOR EL ERYTHROBACTER LITORALIS ERYTHROBACTER LITORALIS LOV DOMAIN LIGHT-ACTIVATED TRANSCRIPTION FACTOR DNA BINDIN
Ref.: STRUCTURAL BASIS OF PHOTOSENSITIVITY IN A BACTERIAL LIGHT-OXYGEN-VOLTAGE/HELIX-TURN-HELIX (LOV-HTH) DNA PROTEIN. PROC.NATL.ACAD.SCI.USA V. 108 9449 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 3P7N - 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 211 families.
1 3P7N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3P7N - 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 : 3P7N; Ligand: FMN; Similar sites found: 161
This union binding pocket(no: 1) in the query (biounit: 3p7n.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3A6T 8OG 0.004089 0.41772 None
2 3E2M E2M 0.02615 0.40945 None
3 3TAY MN0 0.009485 0.40287 1.22699
4 4B0T ADP 0.006417 0.41039 1.55039
5 3ZJX BOG 0.01873 0.40965 1.55039
6 5BVE 4VG 0.04423 0.40083 1.55039
7 5HCY 60D 0.003429 0.44252 1.93798
8 2QZZ NAP 0.01434 0.40943 1.93798
9 3G5D 1N1 0.0271 0.408 1.93798
10 4EWH T77 0.01105 0.40282 1.93798
11 1J3R 6PG 0.0009523 0.40656 2.10526
12 5HX8 66P 0.01144 0.40072 2.31788
13 5MBC FMN 0.0006915 0.43463 2.32558
14 1U6R ADP 0.0009814 0.43202 2.32558
15 1E1O LYS 0.005981 0.41327 2.32558
16 4QCK ASD 0.02312 0.41276 2.32558
17 2XMY CDK 0.03497 0.40774 2.32558
18 2C9O ADP 0.005359 0.40704 2.32558
19 2B9I ADP 0.006254 0.40575 2.32558
20 1D6H COA 0.0229 0.40536 2.32558
21 3D91 REM 0.03724 0.40517 2.32558
22 2XN5 FUN 0.01052 0.4108 2.71318
23 4OYA 1VE 0.03372 0.40853 2.71318
24 2E56 MYR 0.01512 0.40059 2.77778
25 2YIP YIO 0.02403 0.40278 2.89855
26 4G31 0WH 0.002565 0.43817 3.10078
27 3SXF BK5 0.004305 0.42915 3.10078
28 5BYZ 4WE 0.003655 0.42855 3.10078
29 5LIA 6XN 0.01501 0.42781 3.10078
30 5U3B 7TD 0.006121 0.41708 3.10078
31 5U98 1KX 0.02121 0.41595 3.10078
32 2OFV 242 0.01549 0.40473 3.10078
33 1VJY 460 0.01324 0.40444 3.10078
34 1VRP ADP 0.002882 0.40196 3.10078
35 2X4Z X4Z 0.00189 0.4455 3.48837
36 4H07 IPH 0.005958 0.41761 3.48837
37 4F4P 0SB 0.01948 0.41709 3.48837
38 2WSA MYA 0.03548 0.41594 3.48837
39 2WSA 646 0.03548 0.41594 3.48837
40 3GFZ FMN 0.001088 0.41506 3.48837
41 4XV1 904 0.009441 0.41234 3.48837
42 5JGA 6KC 0.009168 0.41171 3.48837
43 4NAE 1GP 0.02187 0.40606 3.55556
44 5DQ8 FLF 0.009938 0.40043 3.75
45 1ERB ETR 0.001224 0.44549 3.82514
46 1OAA OAA 0.02143 0.40674 3.87597
47 4O4K 2PK 0.03289 0.40247 3.87597
48 1REQ DCA 0.0253 0.40245 3.87597
49 3R3V FAH 0.02433 0.40137 3.87597
50 2CYB TYR 0.02289 0.40117 3.87597
51 5W4W 9WG 0.009289 0.40172 3.92749
52 1WUB OTP 0.004987 0.43487 3.93258
53 2YG2 FLC 0.01018 0.40299 4.06977
54 2YG2 S1P 0.007989 0.40299 4.06977
55 4XTX 590 0.000839 0.45743 4.26357
56 1M15 ADP 0.001261 0.45353 4.26357
57 1M15 ARG 0.001261 0.45353 4.26357
58 2WA4 069 0.001659 0.44452 4.26357
59 4BG4 ADP 0.0005466 0.44248 4.26357
60 4MNS 2AX 0.01718 0.41381 4.40252
61 5HV0 AKG 0.002523 0.40477 4.60829
62 3KV5 OGA 0.0004207 0.49845 4.65116
63 3E8N VRA 0.01432 0.41419 4.65116
64 3E8N ATP 0.01432 0.41419 4.65116
65 3W68 VIV 0.007098 0.40524 4.65116
66 5IXG OTP 0.02475 0.40458 4.73373
67 5IXH OTP 0.006069 0.43086 4.96894
68 5DRB 5FJ 0.0108 0.42089 5.03876
69 4U03 TLL 0.02219 0.41363 5.03876
70 4U03 GTP 0.02219 0.41363 5.03876
71 1K7L 544 0.008122 0.40585 5.03876
72 4C2V YJA 0.01436 0.40035 5.03876
73 1LRI CLR 0.006589 0.4083 5.10204
74 4O9S 2RY 0.004473 0.41888 5.11628
75 1W6P NDG GAL 0.007516 0.41216 5.22388
76 1HN4 MJI 0.02227 0.41869 5.34351
77 2F2U M77 0.01337 0.40576 5.42636
78 2GJ5 VD3 0.01009 0.41551 5.55556
79 1X0P FAD 0.001045 0.42266 5.59441
80 1YRX FMN 0.0009706 0.42279 5.78512
81 4JH6 FCN 0.005507 0.42909 5.7971
82 3T4L ZEA 0.0001347 0.46798 5.81395
83 3DLG GWE 0.01259 0.42905 5.81395
84 2JBM SRT 0.02739 0.4177 5.81395
85 4GJ3 0XP 0.00666 0.41675 5.81395
86 2C4I BTN 0.002866 0.40752 5.81395
87 5JSP DQY 0.0001528 0.41238 5.97015
88 2GU8 796 0.02561 0.4092 6.20155
89 2Z77 HE7 0.005235 0.40748 6.47482
90 2HFN FMN 0.001041 0.43996 6.53595
91 2BYC FMN 0.001201 0.44624 6.56934
92 3PUR 2HG 0.0006155 0.48618 6.58915
93 4WN5 MVC 0.009147 0.40041 6.95652
94 1ZOY UQ1 0.01044 0.42237 7.14286
95 4PYW ACE THR THR ALA ILE NH2 0.005253 0.41263 7.36434
96 5A3T MMK 0.01188 0.40534 7.36434
97 3G9E RO7 0.00269 0.43849 7.38007
98 2GC0 PAN 0.0008371 0.43429 7.44681
99 1DZK PRZ 0.0006017 0.45508 7.64331
100 3VQ2 LP4 LP5 MYR DAO 0.008601 0.42373 7.75194
101 4HEE 14R 0.005131 0.40786 7.75194
102 3T03 3T0 0.00398 0.40309 7.75194
103 2YAK OSV 0.01016 0.40715 8.13953
104 2AIB ERG 0.008508 0.40646 8.16327
105 2JFZ 003 0.02046 0.41738 8.23529
106 5MKG C2E 0.007511 0.40736 8.26772
107 1MDC PLM 0.0006703 0.45007 8.33333
108 2YNE NHW 0.0298 0.41884 8.52713
109 2YNE YNE 0.0298 0.41884 8.52713
110 3KMZ EQO 0.007734 0.40975 8.52713
111 2WQN ADP 0.01256 0.40309 8.52713
112 1QY1 PRZ 0.0008154 0.44442 8.62069
113 5BU3 4W9 0.008046 0.40116 8.69565
114 5ML3 DL3 0.01428 0.40849 8.72483
115 2X34 UQ8 0.02037 0.40945 8.83978
116 4BVA T3 0.001084 0.46269 8.91473
117 4YZC STU 0.008862 0.41703 8.91473
118 1JV1 UD1 0.01014 0.40848 8.91473
119 5AE2 FYC 0.04453 0.40693 8.91473
120 5AE2 FAD 0.04453 0.40693 8.91473
121 3PGU OLA 0.001617 0.4051 8.91473
122 2X32 OTP 0.01741 0.41271 8.93855
123 3RGA LSB 0.0006396 0.43265 9.18728
124 4N14 WR7 0.002136 0.44746 9.30233
125 4WHZ 3NL 0.01623 0.41417 9.68992
126 4ANW O92 0.01471 0.40235 9.68992
127 5D48 L96 0.008284 0.40697 9.86842
128 4W9H 3JF 0.01601 0.40607 10.4938
129 3E85 BSU 0.01822 0.40555 10.7595
130 1GQG DCD 0.0006459 0.45078 10.8527
131 4DQ2 BTX 0.01083 0.4059 10.8527
132 3EW2 BTN 0.0009855 0.4054 11.1111
133 3IES M24 0.01549 0.40473 11.2403
134 5EOB 5QQ 0.0136 0.42181 11.2853
135 2CHG ANP 0.002319 0.42468 11.9469
136 5DEY 59T 0.01458 0.41959 12.0155
137 1GTE FMN 0.01359 0.40735 12.0155
138 1GTE IUR 0.01359 0.40735 12.0155
139 1FM9 570 0.01383 0.40235 12.605
140 1OGX EQU 0.001076 0.41994 12.9771
141 3EWC MCF 0.01071 0.40053 13.1783
142 3E9I XAH 0.006624 0.41554 13.5659
143 3EWK FAD 0.0001805 0.46839 15.859
144 4XT2 43L 0.00332 0.41969 16.5289
145 1B7Y FYA 0.005774 0.41395 17.0543
146 5HA0 LTD 0.007174 0.40975 17.3077
147 1EPB REA 0.001113 0.4431 17.6829
148 2WKQ FMN 0.0000000000001121 0.86349 22.8682
149 4GCZ FMN 0.0000000000008923 0.82483 25.969
150 4HIA FMN 0.0000000002537 0.7619 31.8182
151 5DJU FMN 0.0000000000001004 0.87033 40.6897
152 5DJT FMN 0.0000000000002793 0.84648 40.6897
153 5EFW FMN 0.0000000000007683 0.82762 40.6897
154 2V0U FMN 0.0000000000001407 0.85926 41.0959
155 4WUJ FMN 0.000000000002183 0.80816 42.8571
156 5DKK FMN 0.0000000000001731 0.85539 44.8276
157 2Z6D FMN 0.0000000000003532 0.84211 45.3846
158 4R38 RBF 0.00000000002599 0.76612 45.7143
159 3IS2 FAD 0.00000000001369 0.80307 48.7013
160 5SVV FMN 0.000000000006331 0.7926 48.9051
161 2Z6C FMN 0.000000000006542 0.78771 49.6124
Pocket No.: 2; Query (leader) PDB : 3P7N; Ligand: FMN; Similar sites found: 36
This union binding pocket(no: 2) in the query (biounit: 3p7n.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5F1R 42O 0.006709 0.40775 None
2 2QZZ EMF 0.01823 0.40263 1.93798
3 4NW6 2NS 0.01302 0.40172 1.93798
4 3W54 RNB 0.004911 0.42003 2.32558
5 3K3K A8S 0.005269 0.40396 2.36967
6 1XPK HMG 0.01003 0.40426 2.71318
7 5L2J 70E 0.009979 0.43344 3.10078
8 1UWK NAD 0.007196 0.42774 3.10078
9 1UWK URO 0.007196 0.42774 3.10078
10 4X9X OLA 0.007115 0.40663 3.10078
11 3A7R LAQ 0.01738 0.40056 3.10078
12 2BW7 ECS 0.02751 0.402 3.19635
13 3RV5 DXC 0.007749 0.40909 3.37079
14 4B7X NAP 0.01387 0.40049 3.48837
15 5IF4 6AK 0.01746 0.40151 3.77358
16 3AHQ FAD 0.004226 0.41162 3.87597
17 1PS9 FAD 0.01513 0.40918 3.87597
18 2ZCQ B65 0.02359 0.40109 3.87597
19 4KBA 1QM 0.01065 0.40309 3.92749
20 3B6R ADP 0.004403 0.4182 5.03876
21 3WYJ H78 0.008065 0.43665 5.13834
22 4XBT 3ZQ 0.003622 0.4033 5.16129
23 2XG5 EC5 0.007249 0.43263 5.20231
24 2XG5 EC2 0.007249 0.43263 5.20231
25 4JNJ BTN 0.006044 0.41586 5.21739
26 3VV5 SLZ 0.01312 0.40795 5.81395
27 2FVK DUC 0.02486 0.40205 6.20155
28 4GGZ BTN 0.00276 0.44085 6.95652
29 5EW9 5VC 0.0416 0.41583 6.97674
30 1ZHX HC3 0.009034 0.40211 6.97674
31 4MNP SLB 0.0139 0.40279 7.36434
32 5A5W GUO 0.007749 0.42068 7.50988
33 3LVW GSH 0.01773 0.40016 8.13953
34 5EYP LOC 0.005598 0.40639 8.91473
35 3RUG DB6 0.02063 0.40466 9.09091
36 1SZO CAX 0.02486 0.40264 9.33852
Feedback