Receptor
PDB id Resolution Class Description Source Keywords
4HIA 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RHODOBACTER SPHAEROIDES LOV PROTEIN RHODOBACTER SPHAEROIDES LOV PAS HTH SIGNALING PROTEIN
Ref.: LIGHT-INDUCED SUBUNIT DISSOCIATION BY A LIGHT-OXYGE DOMAIN PHOTORECEPTOR FROM RHODOBACTER SPHAEROIDES. BIOCHEMISTRY V. 52 378 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:203;
B:202;
A:202;
B:204;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
FMN A:201;
B:201;
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
4HIA 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RHODOBACTER SPHAEROIDES LOV PROTEIN RHODOBACTER SPHAEROIDES LOV PAS HTH SIGNALING PROTEIN
Ref.: LIGHT-INDUCED SUBUNIT DISSOCIATION BY A LIGHT-OXYGE DOMAIN PHOTORECEPTOR FROM RHODOBACTER SPHAEROIDES. BIOCHEMISTRY V. 52 378 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4HJ6 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4HIA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4HNB - FNR C17 H23 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 4HJ6 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4HIA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4HNB - FNR C17 H23 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 4HJ6 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4HIA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4HNB - FNR C17 H23 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 : 4HIA; Ligand: FMN; Similar sites found: 248
This union binding pocket(no: 1) in the query (biounit: 4hia.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1M2Z BOG 0.0006856 0.54186 None
2 1EPB REA 0.0002473 0.49716 None
3 1TUK PGM 0.002003 0.46768 None
4 3M3E GAL A2G NPO 0.002602 0.46429 None
5 1SN0 T44 0.004225 0.44654 None
6 5AIG VPR 0.006102 0.4429 None
7 4WVW SLT 0.005802 0.44073 None
8 1UO5 PIH 0.003283 0.43912 None
9 2W5P CL8 0.01181 0.43854 None
10 5NCF 8T5 0.01711 0.42831 None
11 4I67 G G G RPC 0.01709 0.41993 None
12 1Q2C COA 0.00759 0.40967 None
13 1TIQ COA 0.02241 0.40668 None
14 4DZ1 DAL 0.04808 0.40459 None
15 3IWD M2T 0.04925 0.40331 None
16 3NZ1 3NY 0.04654 0.40281 None
17 4JNJ BTN 0.02789 0.40198 None
18 1Y75 NAG 0.04639 0.40094 None
19 5LXB 7A9 0.02234 0.42559 1.13636
20 1SU2 ATP 0.01283 0.41171 1.25786
21 3RDO BTN 0.02441 0.40484 1.30719
22 2CYC TYR 0.008892 0.44533 1.70455
23 3O94 NCA 0.01528 0.43215 1.70455
24 3WG3 A2G GAL NAG FUC 0.01542 0.42635 1.70455
25 4NSQ COA 0.01187 0.4133 1.70455
26 4F8L AES 0.02654 0.41279 1.70455
27 1ULE GLA GAL NAG 0.03572 0.40925 1.70455
28 1B09 PC 0.04838 0.40496 1.70455
29 5GM5 CBI 0.01619 0.40385 1.70455
30 4GGZ BTN 0.01912 0.41363 1.73913
31 1CM0 COA 0.02298 0.40614 1.78571
32 1KJ1 MAN 0.01735 0.40781 1.83486
33 5TFZ 7BC 0.01976 0.42066 2
34 5FUI APY 0.002499 0.47544 2.27273
35 4L4J NAG NAG BMA MAN NAG 0.002858 0.47394 2.27273
36 4TS1 TYR 0.005135 0.45653 2.27273
37 4TV1 36M 0.008841 0.44381 2.27273
38 2BJ4 OHT 0.003348 0.43178 2.27273
39 5C5T AKG 0.01993 0.42046 2.27273
40 4TUZ 36J 0.02254 0.41003 2.27273
41 2YMZ LAT 0.003775 0.42294 2.30769
42 2R0H CTO 0.0207 0.42487 2.43902
43 2AGC DAO 0.004033 0.45698 2.46914
44 1N5S ADL 0.0154 0.41126 2.67857
45 4D52 GIV 0.007021 0.44344 2.84091
46 4D4U FUC 0.01078 0.43204 2.84091
47 4H6B 10Y 0.01026 0.43132 2.84091
48 3HYW DCQ 0.03537 0.41247 2.84091
49 3G2Y GF4 0.04475 0.40892 2.84091
50 4LH7 1X8 0.03795 0.40745 2.84091
51 4D4U FUC NDG GAL FUC 0.03688 0.40715 2.84091
52 1P7T PYR 0.03014 0.40339 2.84091
53 4D4U FUC GAL NDG FUC 0.03999 0.40078 2.84091
54 1O6B ADP 0.03657 0.40647 2.95858
55 1GZW GAL BGC 0.02538 0.41132 2.98507
56 1W6O LAT 0.02669 0.40956 2.98507
57 1TT8 PHB 0.007191 0.4024 3.04878
58 4IBF 1D5 0.01466 0.41577 3.10078
59 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.008434 0.45321 3.40909
60 5KJW 53C 0.007671 0.44814 3.40909
61 3SAO NKN 0.005956 0.43496 3.40909
62 1FHX 4IP 0.01819 0.42687 3.40909
63 2RHQ GAX 0.00342 0.42469 3.40909
64 4OB6 S2T 0.01333 0.41428 3.40909
65 3V8S 0HD 0.01407 0.41314 3.40909
66 1ODM ASV 0.005202 0.41094 3.40909
67 3BF1 PAU 0.02169 0.41087 3.40909
68 4AU8 Z3R 0.02706 0.40961 3.40909
69 4KQP GLN 0.04009 0.40944 3.40909
70 3ZGJ RMN 0.04211 0.40319 3.40909
71 3BGD SAH 0.01497 0.40242 3.40909
72 5AX9 4KT 0.02377 0.40215 3.40909
73 3EFS BTN 0.01882 0.40082 3.40909
74 1QFT HSM 0.009009 0.42245 3.42857
75 1G1T SIA GAL MAG FUC 0.04925 0.40384 3.82166
76 4B9K TG0 0.01662 0.42463 3.84615
77 4W9H 3JF 0.01716 0.416 3.84615
78 5NVX 4YY 0.02522 0.40756 3.84615
79 2J5B TYE 0.002039 0.47817 3.97727
80 4MOB ADP 0.002992 0.47234 3.97727
81 2OS2 OGA 0.003341 0.47041 3.97727
82 2YBP 2HG 0.004939 0.46078 3.97727
83 2D2F ADP 0.006705 0.45177 3.97727
84 5KR7 6X9 0.01779 0.41901 3.97727
85 1Q19 SSC 0.03128 0.41544 3.97727
86 2B9F ADP 0.01276 0.41182 3.97727
87 2P5B OGA 0.02182 0.41074 3.97727
88 3NEM AMO 0.004746 0.40982 3.97727
89 2EB5 OXL 0.04365 0.40978 3.97727
90 5LY2 OGA 0.04424 0.40808 3.97727
91 2B9I ADP 0.0158 0.40745 3.97727
92 1NHZ 486 0.0119 0.40694 3.97727
93 2B9J ADP 0.02036 0.40541 3.97727
94 2ZMF CMP 0.01516 0.40516 3.97727
95 4D1J DGJ 0.04091 0.40501 3.97727
96 4UA3 COA 0.01313 0.405 3.97727
97 2XN5 FUN 0.03539 0.40355 3.97727
98 1B7Y FYA 0.00729 0.40215 3.97727
99 2BVE PH5 0.02564 0.42112 4.20168
100 2BOS GLA GAL GLC 0.009343 0.40909 4.41176
101 4WOE ADP 0.001615 0.48647 4.54545
102 3RGA LSB 0.0007036 0.47546 4.54545
103 1GPM AMP 0.0151 0.42731 4.54545
104 5T7I LAT NAG GAL 0.01866 0.42664 4.54545
105 4OCT AKG 0.0135 0.4252 4.54545
106 3ANY 2A3 0.01996 0.42357 4.54545
107 5EY0 GTP 0.01555 0.42203 4.54545
108 3QO8 SSA 0.01259 0.41546 4.54545
109 4R78 AMP 0.03119 0.41015 4.54545
110 5VLC HSO 0.03944 0.40858 4.54545
111 1KC7 PPR 0.03829 0.40134 4.54545
112 4LOO SB4 0.02193 0.40072 4.54545
113 3LEK BCW 0.04596 0.41267 4.57516
114 4INI AMP 0.01527 0.4149 4.61538
115 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.03072 0.40675 4.7619
116 3UEC ALA ARG TPO LYS 0.04537 0.40758 4.79452
117 1OGZ EQU 0.01681 0.41645 4.8
118 1TV5 N8E 0.00005617 0.57819 5.11364
119 5FWJ MMK 0.01428 0.42811 5.11364
120 4FE2 AIR 0.03047 0.40693 5.11364
121 4CS4 AXZ 0.003345 0.40571 5.11364
122 1E1O LYS 0.006246 0.40491 5.11364
123 4BCN T9N 0.02838 0.40161 5.11364
124 1QY1 PRZ 0.005292 0.41958 5.17241
125 4XCB AKG 0.04126 0.4075 5.36398
126 1X8X TYR 0.004382 0.45027 5.68182
127 5VAD PRO 0.009077 0.42599 5.68182
128 1BC5 ACE ASN TRP GLU THR PHE 0.02841 0.4123 5.68182
129 5X7Q GLC GLC GLC GLC 0.02897 0.40682 5.68182
130 3DBX PLM 0.03323 0.40149 5.68182
131 3RDE OYP 0.01378 0.40117 5.68182
132 5TVF CGQ 0.04803 0.40013 5.68182
133 2PIE GLU LEU LYS TPO GLU ARG TYR 0.0331 0.41493 5.7971
134 3T4L ZEA 0.0003713 0.48383 6.25
135 3TDC 0EU 0.02391 0.44965 6.25
136 4YVN EBS 0.01657 0.42994 6.25
137 4C2C ALA ALA ALA 0.03047 0.42465 6.25
138 5C3R HMU 0.00885 0.4193 6.25
139 5C3R AKG 0.00885 0.4193 6.25
140 5FLJ QUE 0.00955 0.40823 6.25
141 2ZTG A5A 0.01553 0.4078 6.25
142 4NB5 2JT 0.01464 0.40586 6.25
143 3IAL PR8 0.009365 0.40571 6.25
144 4RLT FSE 0.01276 0.42248 6.32911
145 2Z77 HE7 0.002593 0.43678 6.47482
146 1A78 TDG 0.01423 0.42143 6.71642
147 3OPT AKG 0.005449 0.45796 6.81818
148 4RW3 TDA 0.01632 0.44971 6.81818
149 1AUA BOG 0.008055 0.44599 6.81818
150 1SLT NDG GAL 0.009892 0.43332 6.81818
151 4Z3E GAL NGA GLA BGC GAL 0.02116 0.42116 6.81818
152 4H2X G5A 0.01013 0.41325 6.81818
153 3GD9 GLC BGC BGC BGC 0.02382 0.40882 6.81818
154 5KY4 GDP 0.02839 0.40852 6.81818
155 4XTX 590 0.002814 0.40832 6.81818
156 4GYI ADP 0.02772 0.40548 6.81818
157 1FWY UD1 0.01603 0.40108 6.81818
158 1QKQ MAN 0.0008863 0.4499 7.04225
159 4XBT 3ZQ 0.005381 0.42945 7.09677
160 4XBT FLC 0.00565 0.42845 7.09677
161 2GC0 PAN 0.00505 0.43074 7.38636
162 4KBA 1QM 0.01594 0.41397 7.38636
163 1UPR 4IP 0.0157 0.40675 7.38636
164 5CK5 GDP 0.04359 0.40239 7.38636
165 5H9Q TD2 0.01359 0.40812 7.74194
166 1J78 OLA 0.005837 0.47559 7.95455
167 4FFG 0U8 0.004329 0.46052 7.95455
168 3IA4 MTX 0.006763 0.43226 7.95455
169 1OJJ GLC GAL 0.01227 0.43159 7.95455
170 2Q8H TF4 0.0181 0.43073 7.95455
171 3E7S AT2 0.01664 0.42981 7.95455
172 2NLR BGC BGC G2F SHG 0.01635 0.41343 7.95455
173 2C1P FNZ 0.02812 0.40874 7.95455
174 3B99 U51 0.02408 0.40858 7.95455
175 4FFG LBS 0.01835 0.40618 7.95455
176 5LVP ATP 0.03264 0.40188 7.95455
177 1JIL 485 0.01602 0.4011 7.95455
178 4JH6 FCN 0.01007 0.43611 7.97101
179 3H0L ADP 0.01992 0.42047 8.51064
180 1DZK PRZ 0.003133 0.44443 8.52273
181 2IYG FMN 0.005059 0.44263 8.52273
182 1YRX FMN 0.004281 0.44199 8.52273
183 2OVW CBI 0.01146 0.43774 8.52273
184 2FCU AKG 0.01871 0.42763 8.52273
185 4E2J MOF 0.008125 0.40839 8.52273
186 5W10 CMP 0.01761 0.40215 8.52273
187 1UNQ 4IP 0.01552 0.43302 8.8
188 3IX9 MTX 0.001404 0.45679 9.09091
189 5FXD H7Y 0.004282 0.43793 9.09091
190 1ZHX HC3 0.001993 0.42529 9.09091
191 3W54 RNB 0.01224 0.41267 9.09091
192 2GPT TLA 0.04718 0.40546 9.09091
193 2VEG PMM 0.04341 0.40249 9.09091
194 1MFA GLA MMA ABE 0.0378 0.40849 9.16667
195 1BHX ASP PHE GLU GLU ILE 0.005939 0.44351 9.52381
196 1Q11 TYE 0.0009861 0.49506 9.65909
197 2CYB TYR 0.005814 0.45591 9.65909
198 4O4K 2PK 0.007777 0.40637 9.65909
199 3SJK LYS PRO VAL LEU ARG THR ALA 0.01281 0.43689 10.2273
200 4L6H HCS 0.02023 0.42549 10.2273
201 1NF8 BOG 0.03142 0.42327 10.2273
202 3HP9 CF1 0.0295 0.42031 10.2273
203 2WPW ACO 0.01394 0.41333 10.2273
204 3HW5 AMP 0.03576 0.41285 10.2273
205 3FAL REA 0.01794 0.41145 10.2273
206 4GLW 0XT 0.03717 0.40609 10.2273
207 2HFN FMN 0.005809 0.42789 10.4575
208 3WV6 GAL GLC 0.002794 0.43291 10.7955
209 3B6R ADP 0.01138 0.41757 10.7955
210 2AJH MET 0.04112 0.40471 11.3636
211 4OFG PCG 0.02819 0.40512 11.8056
212 4N14 WR7 0.01031 0.43362 11.9318
213 4QDF 30Q 0.02336 0.40252 11.9318
214 2VN9 GVD 0.03046 0.41471 12.5
215 4EIL FOL 0.0166 0.40644 12.5
216 3F7Z 34O 0.01685 0.40612 12.5
217 4IPN 1FT 0.03309 0.40159 12.5
218 3SHR CMP 0.04067 0.4004 12.5
219 2XMI FLC 0.01006 0.42766 13.0682
220 4OAR 2S0 0.008547 0.41343 13.6364
221 3A6T 8OG 0.0206 0.40516 13.6364
222 1DL7 NCH 0.03151 0.41391 14.6789
223 3EYK EYK 0.0005429 0.53194 15.1163
224 2HK9 SKM 0.03346 0.41628 15.3409
225 4DSU BZI 0.001262 0.49587 16.4773
226 5LWY OLB 0.01444 0.41609 17.0455
227 5LX9 OLB 0.02084 0.40824 17.0455
228 4I3G BGC 0.03082 0.41042 17.6136
229 4ZWP M44 0.04852 0.40364 18.1818
230 4HBM 0Y7 0.02182 0.40395 19.1667
231 5JSP DQY 0.01437 0.43525 20.398
232 1I7E IBS 0.04272 0.41072 20.4545
233 4RLQ 3SK 0.02352 0.42082 21.0227
234 1H3F TYE 0.02493 0.41895 21.0227
235 3EWK FAD 0.00001369 0.42864 23.2955
236 4OAS 2SW 0.02361 0.40556 23.9583
237 2WKQ FMN 0.00000000001765 0.81498 30.6818
238 3P7N FMN 0.0000000002537 0.7619 31.8182
239 5MBC FMN 0.005986 0.43096 32.3864
240 2GJ3 FAD 0.000003231 0.57367 37.5
241 4GCZ FMN 0.000000000001191 0.60884 40.3409
242 2Z6C FMN 0.0000000000007063 0.87907 41.0853
243 2Z6D FMN 0.00000000005482 0.79241 42.3077
244 4WUJ FMN 0.00000000001575 0.81725 45.5782
245 3T50 FMN 0.00000000001535 0.81776 46.875
246 2PR5 FMN 0.000000000002676 0.85254 46.9697
247 4R38 RBF 0.000000000003567 0.83517 47.8571
248 4EES FMN 0.00000000000356 0.83521 49.5652
Pocket No.: 2; Query (leader) PDB : 4HIA; 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: 4hia.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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