Receptor
PDB id Resolution Class Description Source Keywords
2Z6C 2.1 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF LOV1 DOMAIN OF PHOTOTROPIN1 FROM ARABIDOPSIS THALIANA ARABIDOPSIS THALIANA PAS-FOLD LOV-FOLD ATP-BINDING CHROMOPHORE CYTOPLASM FLAVOPROTEIN FMN KINASE MEMBRANE NUCLEOTIDE-BINDING PHOSPHORYLATION PHOTORECEPTOR PROTEIN RECEPTOR SENSORY TRANSDUCTION SERINE/THREONINE-PROTEIN KINASE TRANSFERASE
Ref.: STRUCTURAL BASIS OF THE LOV1 DIMERIZATION OF ARABIDOPSIS PHOTOTROPINS 1 AND 2 J.MOL.BIOL. V. 381 718 2008
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...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Z6C 2.1 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF LOV1 DOMAIN OF PHOTOTROPIN1 FROM ARABIDOPSIS THALIANA ARABIDOPSIS THALIANA PAS-FOLD LOV-FOLD ATP-BINDING CHROMOPHORE CYTOPLASM FLAVOPROTEIN FMN KINASE MEMBRANE NUCLEOTIDE-BINDING PHOSPHORYLATION PHOTORECEPTOR PROTEIN RECEPTOR SENSORY TRANSDUCTION SERINE/THREONINE-PROTEIN KINASE TRANSFERASE
Ref.: STRUCTURAL BASIS OF THE LOV1 DIMERIZATION OF ARABIDOPSIS PHOTOTROPINS 1 AND 2 J.MOL.BIOL. V. 381 718 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 2Z6C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 2Z6C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2Z6D - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 2PR5 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1N9L - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1N9N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3T50 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2Z6C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 5DKK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 2Z6D - 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 : 2Z6C; Ligand: FMN; Similar sites found: 148
This union binding pocket(no: 1) in the query (biounit: 2z6c.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1EPB REA 0.0005103 0.45829 None
2 1UO5 PIH 0.003353 0.43929 None
3 1LRI CLR 0.001513 0.43641 None
4 2HFN FMN 0.001706 0.43054 None
5 1QY1 PRZ 0.00187 0.42875 None
6 1TUK PGM 0.005064 0.42616 None
7 2GJ5 VD3 0.006549 0.4242 None
8 3L5R 47X 0.02669 0.42274 None
9 5A5W GUO 0.009557 0.41966 None
10 5BYZ 4WE 0.007121 0.41543 None
11 1VJY 460 0.008111 0.41413 None
12 2X32 OTP 0.01665 0.41364 None
13 4JD3 COA 0.02165 0.4048 None
14 3A6T 8OG 0.008189 0.40415 None
15 3T2W BTN 0.01481 0.4036 None
16 2ALG HP6 0.007914 0.40148 None
17 2ALG DAO 0.007914 0.40148 None
18 1L0I PSR 0.03622 0.40099 None
19 5HV0 AKG 0.003259 0.40042 None
20 3GQT UFO 0.0144 0.40028 None
21 3KU0 ADE 0.02301 0.40252 1.55039
22 5AIG VPR 0.01112 0.41394 1.6
23 1MDC PLM 0.001419 0.43583 2.32558
24 4OIV XX9 0.01651 0.40755 2.32558
25 5IXH OTP 0.02449 0.40226 2.32558
26 4WN5 MVC 0.003185 0.42048 2.6087
27 4MGA 27L 0.01355 0.41535 3.10078
28 5BVE 4VG 0.0225 0.41535 3.10078
29 4MG8 27J 0.006169 0.41357 3.10078
30 1M5W DXP 0.02328 0.40213 3.10078
31 2G30 ALA ALA PHE 0.00007062 0.52824 3.87597
32 4N14 WR7 0.001364 0.46461 3.87597
33 4XTX 590 0.0008873 0.45633 3.87597
34 1DZK PRZ 0.001321 0.43976 3.87597
35 4KBA 1QM 0.00497 0.4313 3.87597
36 1M2Z BOG 0.0281 0.42268 3.87597
37 1BHX ASP PHE GLU GLU ILE 0.008696 0.41481 3.87597
38 5EOB 5QQ 0.02088 0.41279 3.87597
39 5HES 032 0.005068 0.40991 3.87597
40 4IAW LIZ 0.01203 0.40799 3.87597
41 1X8X TYR 0.01257 0.40706 3.87597
42 4XBT FLC 0.003868 0.40696 3.87597
43 4XBT 3ZQ 0.004 0.40646 3.87597
44 2OVW CBI 0.006288 0.43117 4.65116
45 1ULE GLA GAL NAG 0.005742 0.42901 4.65116
46 1W6P NDG GAL 0.005364 0.42305 4.65116
47 3F3E LEU 0.03756 0.41467 4.65116
48 5F1R 42O 0.006455 0.41179 4.65116
49 4YZC STU 0.01188 0.41115 4.65116
50 1Y42 TYR 0.01569 0.41091 4.65116
51 3W68 VIV 0.005452 0.41026 4.65116
52 5XDT ZI7 0.008487 0.40794 4.65116
53 5FXD H7Y 0.003902 0.4035 4.65116
54 4B9K TG0 0.02194 0.40345 4.65116
55 5APK 76E 0.01277 0.40134 4.65116
56 4W9H 3JF 0.01372 0.40128 4.65116
57 4W9F 3JU 0.02428 0.40119 4.65116
58 1W6O LAT 0.0178 0.40037 4.65116
59 2AIB ERG 0.002421 0.43072 5.10204
60 5MBC FMN 0.0009773 0.42829 5.42636
61 4MA6 28E 0.0002408 0.42469 5.42636
62 5IR4 ZPE 0.01012 0.4204 5.42636
63 3GFZ FMN 0.001117 0.41469 5.42636
64 4A38 BZS 0.01311 0.41445 5.42636
65 1WUB OTP 0.01592 0.41112 5.42636
66 3IES M24 0.01264 0.4088 5.42636
67 1AUA BOG 0.01729 0.40875 5.42636
68 4DXJ 0M9 0.01205 0.40379 5.42636
69 2DW7 SRT 0.02066 0.40055 5.42636
70 3RGA LSB 0.0001663 0.48014 6.20155
71 3KP6 SAL 0.009873 0.43722 6.20155
72 1ZOY UQ1 0.006748 0.43307 6.20155
73 5D48 L96 0.002373 0.43111 6.20155
74 2C9O ADP 0.001448 0.42394 6.20155
75 5IXG OTP 0.01117 0.42107 6.20155
76 1ZHX HC3 0.005944 0.41339 6.20155
77 4HEE 14R 0.006389 0.40374 6.20155
78 1HV9 UD1 0.014 0.40084 6.20155
79 3KMZ EQO 0.002272 0.43195 6.97674
80 1ERB ETR 0.004126 0.42195 6.97674
81 1KC7 PPR 0.008681 0.41667 6.97674
82 5K13 6Q7 0.004244 0.41327 6.97674
83 5VAD 91Y 0.01029 0.40942 6.97674
84 4L6H HCS 0.01945 0.40712 6.97674
85 4NG2 OHN 0.008534 0.4049 6.97674
86 4QCK ASD 0.002395 0.40463 6.97674
87 5FLJ QUE 0.009211 0.40028 6.97674
88 2BYC FMN 0.0007642 0.45525 7.75194
89 1GQG DCD 0.0005265 0.45465 7.75194
90 3KV5 OGA 0.006506 0.43021 7.75194
91 1SR7 MOF 0.004289 0.42671 7.75194
92 2Z77 HE7 0.002175 0.41529 7.75194
93 3DLG GWE 0.02513 0.41426 7.75194
94 2HZQ STR 0.01747 0.41083 7.75194
95 2XMY CDK 0.03085 0.41045 7.75194
96 4ANW O92 0.01081 0.40844 7.75194
97 4J4H NAI 0.02527 0.40415 7.75194
98 2R0D 4IP 0.02225 0.40313 7.75194
99 4JNJ BTN 0.01113 0.40175 7.82609
100 4JH6 FCN 0.003584 0.43833 8.52713
101 5HCY 60D 0.005025 0.43472 8.52713
102 2E2R 2OH 0.01498 0.4054 8.52713
103 4I3G BGC 0.01673 0.40512 8.52713
104 2GU8 796 0.004278 0.44683 9.30233
105 3W54 RNB 0.004223 0.42114 9.30233
106 3I27 SID 0.004743 0.4374 10.0775
107 2WA4 069 0.002452 0.43654 10.0775
108 2WL9 MBD 0.01428 0.41395 10.0775
109 2B9I ADP 0.004874 0.41051 10.0775
110 4Q0K GA3 0.002914 0.40321 10.0775
111 4CNO 9PY 0.0223 0.40309 10.0775
112 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.01934 0.40197 10.0775
113 1YRX FMN 0.001453 0.44244 10.7438
114 1MO9 FAD 0.02707 0.42146 10.8527
115 4FFG LBS 0.01278 0.4027 10.8527
116 4O4K 2PK 0.0018 0.43309 11.6279
117 2BCG GER 0.008248 0.42039 11.6279
118 1PS9 FAD 0.01487 0.41252 11.6279
119 5U8U FAD 0.04457 0.4042 11.6279
120 5EYP LOC 0.008103 0.40272 11.6279
121 4YRD 3IT 0.002967 0.44887 12.4031
122 4BG4 ADP 0.003186 0.41863 12.4031
123 5MRH Q9Z 0.01606 0.406 12.4031
124 1LNX URI 0.02193 0.40519 13.5802
125 2B3B BGC 0.01544 0.40686 13.9535
126 3M0J OAF 0.01565 0.40245 13.9535
127 2B3B GLC 0.01895 0.40242 13.9535
128 3PUR 2HG 0.0009816 0.47603 14.7287
129 1X0P FAD 0.001921 0.41278 14.7287
130 1M15 ADP 0.008176 0.41638 15.5039
131 1M15 ARG 0.008176 0.41638 15.5039
132 3VQ2 LP4 LP5 MYR DAO 0.002887 0.44603 17.0543
133 3T4L ZEA 0.0006156 0.44997 18.6047
134 4BVA T3 0.001042 0.46348 19.3798
135 2J3M PRI 0.004043 0.41764 20.155
136 4DQ2 BTX 0.006759 0.41514 20.155
137 2J3M ATP 0.005726 0.40933 20.155
138 3LXI CAM 0.02219 0.40524 20.155
139 4XT2 43L 0.001109 0.44051 21.3675
140 3SXF BK5 0.01188 0.40893 34.1085
141 5C3R HMU 0.007752 0.40165 36.4341
142 5C3R AKG 0.007752 0.40165 36.4341
143 3EWK FAD 0.000006714 0.52974 40.3101
144 4HIA FMN 0.0000000000007063 0.87907 41.0853
145 2GJ3 FAD 0.0000004261 0.58113 43.3333
146 3IS2 FAD 0.0000000000002418 0.88155 48.062
147 3D72 FAD 0.0000000000002386 0.67151 48.062
148 3P7N FMN 0.000000000006542 0.78771 49.6124
Pocket No.: 2; Query (leader) PDB : 2Z6C; 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: 2z6c.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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