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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 1443 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 1205 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 1039 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: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 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 with APoc: 297
This union binding pocket(no: 1) in the query (biounit: 4hia.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 6GNO XDI None
2 4WG0 CHD None
3 3M3E GAL A2G NPO None
4 1SWG BTN None
5 1M2Z BOG None
6 4OIT MAN None
7 4WVW SLT None
8 1UO5 PIH None
9 1TUK PGM None
10 3EW2 BTN None
11 4JNJ BTN None
12 1NJF ADP None
13 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
14 5AIG VPR None
15 2W5P CL8 None
16 1UO4 PIH None
17 1ERB ETR None
18 2ET1 GLV None
19 3L5R 47X None
20 2HPL ASP ASP LEU TYR GLY None
21 1MID LAP None
22 5HWV MBN None
23 3KB6 LAC None
24 1LNX URI None
25 3DLS ADP None
26 4Q5M ROC None
27 1KGI T4A None
28 1Y75 NAG None
29 6GPC ARG None
30 4BJ8 BTN 1.13636
31 2D6M LBT 1.25786
32 3RDO BTN 1.30719
33 3T2W BTN 1.70455
34 1P72 THM 1.70455
35 4I94 ANP 1.70455
36 1ULE GLA GAL NAG 1.70455
37 5GLT BGC GAL NAG GAL 1.70455
38 3WG3 A2G GAL NAG FUC 1.70455
39 1LBF 137 1.70455
40 6HDT BTN 1.70455
41 1M15 ADP 1.70455
42 1M15 ARG 1.70455
43 4GGZ BTN 1.73913
44 1KJ1 MAN 1.83486
45 5TFZ 7BC 2
46 4MGA 27L 2.27273
47 5FUI APY 2.27273
48 4L4J NAG NAG BMA MAN NAG 2.27273
49 3WYJ H78 2.27273
50 5XVG 8FX 2.27273
51 2UW1 GVM 2.27273
52 4TS1 TYR 2.27273
53 2C9O ADP 2.27273
54 2DXU BT5 2.27273
55 1WPY BTN 2.27273
56 4JGP PYR 2.27273
57 2ARC ARA 2.43902
58 2R0H CTO 2.43902
59 2AGC DAO 2.46914
60 1N5S ADL 2.67857
61 4F06 PHB 2.84091
62 4DDY DN6 2.84091
63 2HFK E4H 2.84091
64 3KDU NKS 2.84091
65 5KD6 6C7 2.84091
66 5KD6 LBU 2.84091
67 1XDY MTE 2.84091
68 4H6B 10X 2.84091
69 3ZXE PGZ 3.00752
70 3NB0 G6P 3.03448
71 2AG4 LP3 3.04878
72 2AG4 OLA 3.04878
73 2F2T 5IQ 3.10559
74 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.40909
75 3SAO DBH 3.40909
76 2XN2 GLA 3.40909
77 1KAH HIS 3.40909
78 1FHX 4IP 3.40909
79 5DEY 59T 3.40909
80 4OB6 S2T 3.40909
81 3BF1 PAU 3.40909
82 4BG4 ADP 3.40909
83 4KQP GLN 3.40909
84 3A51 VDY 3.40909
85 1YFS ALA 3.40909
86 5KJW 53C 3.40909
87 3QPB URA 3.40909
88 3SAO NKN 3.40909
89 2J3M PRI 3.40909
90 1XZ3 ICF 3.44828
91 3VQ2 LP4 LP5 MYR DAO 3.47222
92 2P7Q GG6 3.7594
93 1G1T SIA GAL MAG FUC 3.82166
94 2GBB CIT 3.84615
95 4QXB OGA 3.97727
96 5W97 CHD 3.97727
97 5W1E PHB 3.97727
98 1ZED PNP 3.97727
99 2J5B TYE 3.97727
100 2HHP FLC 3.97727
101 5Z84 CHD 3.97727
102 2Y69 CHD 3.97727
103 2X32 OTP 3.97727
104 2X34 UQ8 3.97727
105 2YIV NBN 3.97727
106 2B9I ADP 3.97727
107 3BXO UPP 3.97727
108 5ZCO CHD 3.97727
109 2WA4 069 3.97727
110 4WNP 3RJ 3.97727
111 4HA6 FAD 3.97727
112 2B9J ADP 3.97727
113 2B9H ADP 3.97727
114 2XN3 ID8 3.97727
115 5ZUN 9JX 3.97727
116 4D1J DGJ 3.97727
117 5XHA FRU 3.97727
118 4UCC ZKW 3.97727
119 1ZOY UQ1 3.97727
120 1D6H COA 3.97727
121 2B9F ADP 3.97727
122 4RF7 ARG 4.54545
123 6D61 4AA 4.54545
124 6EWZ APC 4.54545
125 3KV4 OGA 4.54545
126 4WOE ADP 4.54545
127 3JU6 ANP 4.54545
128 3RGA LSB 4.54545
129 1C9K 5GP 4.54545
130 5X20 AOT 4.54545
131 1CZA ADP 4.54545
132 5I0U DCY 4.54545
133 3ANY 2A3 4.54545
134 5T8O 76Z 4.54545
135 3Q60 ATP 4.54545
136 1DMY AZM 4.54545
137 3LEK BCW 4.57516
138 4INI AMP 4.61538
139 4XCP PLM 4.70588
140 5HV0 AKG 5.11364
141 1ELI PYC 5.11364
142 5LNW HG3 5.11364
143 4CS4 AXZ 5.11364
144 5HCY 60D 5.11364
145 1U29 I3P 5.11364
146 4CS4 ANP 5.11364
147 5MJA 7O3 5.11364
148 5UR1 YY9 5.11364
149 1NAA 6FA 5.11364
150 5LNW RP5 5.11364
151 5MZI FAD 5.11364
152 5MZI FYK 5.11364
153 4BLW AMP 5.11364
154 1QY1 PRZ 5.17241
155 4XCB AKG 5.36398
156 5H9P TD2 5.68182
157 2GWH PCI 5.68182
158 6FOF LAT 5.68182
159 6CB2 OLC 5.68182
160 1SDW IYT 5.68182
161 6MPT C30 5.68182
162 5KOD IAC 5.68182
163 1X8X TYR 5.68182
164 5ODY 9SK 5.68182
165 2VDY HCY 5.68182
166 3ZH4 FLC 5.68182
167 3KP6 SAL 5.96026
168 4Z28 BTN 5.97015
169 3T4L ZEA 6.25
170 5NFB 8VT 6.25
171 2JIG PD2 6.25
172 1F9V ADP 6.25
173 5NM7 GLY 6.25
174 4A91 GLU 6.25
175 3SCH TB6 6.25
176 2BCG GER 6.25
177 2Z77 HE7 6.47482
178 6F7X MFU 6.66667
179 1A78 TDG 6.71642
180 4L80 OXL 6.81818
181 1SLT NDG GAL 6.81818
182 4XTX 590 6.81818
183 4Z3E GAL NGA GLA BGC GAL 6.81818
184 4ONA UW1 6.81818
185 5INJ 6C7 6.81818
186 1AUA BOG 6.81818
187 2Z9V PXM 6.81818
188 4H2X G5A 6.81818
189 6FWH 5LD 6.81818
190 3GD9 GLC BGC BGC BGC 6.81818
191 2WT9 NIO 6.81818
192 1QKQ MAN 7.04225
193 5D48 L96 7.23684
194 4UMX VVS 7.38636
195 2GC0 PAN 7.38636
196 4G31 0WH 7.38636
197 1X0P FAD 7.38636
198 4RQL SNE 7.38636
199 2RDG NDG FUC SIA GAL 7.38636
200 5W4W 9WG 7.38636
201 4Y8D 49J 7.38636
202 5H9Q TD2 7.74194
203 3PUR 2HG 7.95455
204 3N9P OGA 7.95455
205 5TSH ANP 7.95455
206 3E7S AT2 7.95455
207 5VNF VAL THR SER VAL VAL 7.95455
208 2Q8G AZX 7.95455
209 3CEV ARG 7.95455
210 2C1P FNZ 7.95455
211 3PPQ CHT 7.95455
212 4JH6 FCN 7.97101
213 3WUD GLC GAL 8.08823
214 4WGF HX2 8.29268
215 1OGX EQU 8.39695
216 5TPV TYD 8.49673
217 3AI3 SOE 8.52273
218 2IYG FMN 8.52273
219 4Y2B EPK 8.52273
220 1YRX FMN 8.52273
221 2YFO GLA 8.52273
222 2YFO GAL 8.52273
223 4JX1 CAH 8.52273
224 1DZK PRZ 8.52273
225 5O9W AKG 8.52273
226 5C9P FUC 8.52273
227 1T36 ADP 8.52273
228 1MDC PLM 8.52273
229 4E2J MOF 8.52273
230 4JX1 CAM 8.52273
231 3LHS SF8 9.09091
232 5FXD H7Y 9.09091
233 4TVD BGC 9.09091
234 2Y88 2ER 9.09091
235 1GQG DCD 9.42857
236 4O4K 2PK 9.65909
237 3VV5 SLZ 9.65909
238 2CYB TYR 9.65909
239 4URX FK1 10.2273
240 3HP9 CF1 10.2273
241 4GLW 0XT 10.2273
242 6BVM EBV 10.2273
243 6BVK EAV 10.2273
244 4BVA T3 10.2273
245 2HFN FMN 10.4575
246 4YUS FMN 10.733
247 3T03 3T0 10.7955
248 3B6R ADP 10.7955
249 4BTK DTQ 10.7955
250 5HCN DAO 10.7955
251 2P4Y C03 10.7955
252 1LRI CLR 11.2245
253 2D5X L35 11.3475
254 5L2R MLA 11.3636
255 3PFG TLO 11.3636
256 3PFG SAM 11.3636
257 4N14 WR7 11.9318
258 4QCK ASD 11.9318
259 2WEL K88 12.5
260 1GT4 UNA 12.5
261 1T0S BML 13.0682
262 4OAR 2S0 13.6364
263 6AC9 ANP 13.6364
264 1SR7 MOF 13.6364
265 3A6T 8OG 13.6364
266 1WUB OTP 14.2045
267 3M2W L8I 14.2045
268 3ITA AIC 14.2045
269 2HK9 SKM 15.3409
270 5OCG 9R5 16.4773
271 6FA4 D1W 16.4773
272 4RD0 GDP 17.6136
273 4I3G BGC 17.6136
274 4HBM 0Y7 19.1667
275 6E1Q CFA 19.3182
276 4WHZ 3NL 19.8864
277 5JSP DQY 20.398
278 1I7E IBS 20.4545
279 4L9Z OXL 22.1591
280 1Q7E MET 22.7273
281 3EWK FAD 23.2955
282 2QL9 CIT 23.7113
283 6CAM BGC 23.8636
284 4DQ2 BTX 23.8636
285 2WKQ FMN 30.6818
286 3P7N FMN 31.8182
287 5MBC FMN 32.3864
288 2GJ3 FAD 37.5
289 6GBV FMN 38.3562
290 4GCZ FMN 40.3409
291 2Z6C FMN 41.0853
292 2Z6D FMN 42.3077
293 4WUJ FMN 45.5782
294 3T50 FMN 46.875
295 2PR5 FMN 46.9697
296 4R38 RBF 47.8571
297 4EES FMN 49.5652
Pocket No.: 2; Query (leader) PDB : 4HIA; Ligand: FMN; Similar sites found with APoc: 115
This union binding pocket(no: 2) in the query (biounit: 4hia.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3NV3 GAL NAG MAN None
2 5B09 4MX None
3 2F7A BEZ None
4 1NJF AGS None
5 5U83 ZN8 None
6 3IWD M2T None
7 3KA2 2NC None
8 1FAO 4IP None
9 3FSM 2NC None
10 3ZW2 NAG GAL FUC None
11 4EKV BTN 1.25786
12 3O94 NCA 1.70455
13 3I27 SID 1.70455
14 6CAY ERG 1.77515
15 2GJ5 VD3 1.85185
16 5DG2 GAL GLC 2.22222
17 4J36 1HR 2.27273
18 4MG8 27J 2.27273
19 5C5T AKG 2.27273
20 2I6U CP 2.27273
21 4YZC STU 2.27273
22 4YLZ LAT NAG GAL 2.61438
23 4D52 GXL 2.84091
24 4D52 GIV 2.84091
25 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 2.84091
26 2JDR L20 2.84091
27 2I4O ATP 2.84091
28 1TT8 PHB 3.04878
29 4CSD MFU 3.40909
30 3ZKN WZV 3.40909
31 5DRB 5FJ 3.40909
32 1DE6 RNS 3.40909
33 3RGZ BLD 3.40909
34 2J3M ATP 3.40909
35 1QPR PHT 3.40909
36 3LGG CFE 3.40909
37 4HWS 1B3 3.40909
38 3ZGJ RMN 3.40909
39 1QFT HSM 3.42857
40 2XN5 FUN 3.97727
41 1UWK NAD 3.97727
42 1UWK URO 3.97727
43 1B7Y FYA 3.97727
44 5WP4 PC 3.97727
45 3SHZ 5CO 3.97727
46 2Q8E OGA 3.97727
47 2OS2 OGA 3.97727
48 2E5A LAQ 3.97727
49 3NEM AMO 3.97727
50 4M1U A2G MBG 4.28571
51 2BOS GLA GAL GLC 4.41176
52 5VLC HSO 4.54545
53 4LY9 S6P 4.54545
54 1GPM AMP 4.54545
55 4JD3 PLM 4.54545
56 4JD3 COA 4.54545
57 3QO8 SSA 4.54545
58 3FW9 SLX 4.54545
59 3K0T BGC 4.54545
60 3DOO SKM 5.11364
61 1E1O LYS 5.11364
62 3MPB FRU 5.11364
63 3KMZ EQO 5.11364
64 1GUI BGC BGC BGC BGC BGC BGC 5.16129
65 1U6R ADP 5.68182
66 5VAD 91Y 5.68182
67 3E9I XAH 6.25
68 4NS3 NAD 6.25
69 4OYA 1VE 6.25
70 5FLJ QUE 6.25
71 2YIP YIO 6.25
72 5BVE 4VG 6.81818
73 5MKG C2E 6.81818
74 1PS9 FAD 6.81818
75 5A5W GUO 6.81818
76 4RW3 IPD 6.81818
77 4WVO 3UZ 6.81818
78 3CL7 HYN 6.81818
79 1ZOA 140 6.81818
80 1NWW HPN 7.38255
81 1Y2F WAI 7.38636
82 4MMP SLB 7.38636
83 1NE7 16G 7.38636
84 3N9O OGA 7.95455
85 3N9Q OGA 7.95455
86 2CHG ANP 7.95455
87 1OJK GLC BGC 7.95455
88 3DR4 G4M 7.95455
89 4FFG LBS 7.95455
90 4FFG 0U8 7.95455
91 2OVW CBI 8.52273
92 1Y42 TYR 8.52273
93 4HDK 13X 8.52273
94 5J5R 6G1 8.74036
95 5J5R IMP 8.74036
96 3QVP FAD 9.09091
97 1BHX ASP PHE GLU GLU ILE 9.52381
98 5U98 1KX 9.65909
99 1YKD CMP 9.65909
100 2JBM SRT 9.65909
101 1GPE FAD 9.65909
102 3WV6 GAL GLC 10.7955
103 3WV6 GAL BGC 10.7955
104 4YNU FAD 10.7955
105 4I4B NAD 10.7955
106 2ZSC BTN 10.7955
107 4TW7 37K 11.9318
108 2VN9 GVD 12.5
109 3IES M24 13.6364
110 3WFD AXO 14.2045
111 6A1G 9OL 14.2045
112 5T2Z 017 15.1515
113 5LWY OLB 17.0455
114 4U63 FAD 19.3182
115 1RV1 IMZ 27.0588
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