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Receptor
PDB id Resolution Class Description Source Keywords
1NP7 1.9 Å EC: 4.-.-.- CRYSTAL STRUCTURE ANALYSIS OF SYNECHOCYSTIS SP. PCC6803 CRYP SYNECHOCYSTIS SP. PROTEIN WITH FAD COFACTOR LYASE
Ref.: IDENTIFICATION OF A NEW CRYPTOCHROME CLASS: STRUCTU FUNCTION, AND EVOLUTION MOL.CELL V. 11 59 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:500;
B:501;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
SO4 A:1401;
A:1403;
B:1402;
Invalid;
Invalid;
Invalid;
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
1NP7 1.9 Å EC: 4.-.-.- CRYSTAL STRUCTURE ANALYSIS OF SYNECHOCYSTIS SP. PCC6803 CRYP SYNECHOCYSTIS SP. PROTEIN WITH FAD COFACTOR LYASE
Ref.: IDENTIFICATION OF A NEW CRYPTOCHROME CLASS: STRUCTU FUNCTION, AND EVOLUTION MOL.CELL V. 11 59 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 1NP7 - FAD C27 H33 N9 O15 P2 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 44 families.
1 1NP7 - FAD C27 H33 N9 O15 P2 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 2IJG - MHF C20 H23 N7 O6 c1cc(ccc1C....
2 2J4D - MHF C20 H23 N7 O6 c1cc(ccc1C....
3 1NP7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NP7; Ligand: FAD; Similar sites found with APoc: 180
This union binding pocket(no: 1) in the query (biounit: 1np7.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1MID LAP None
3 1LNX URI None
4 2XN5 FUN 1.14286
5 2XN3 ID8 1.16618
6 6GSG RCO 1.30548
7 5VZ0 ADP 1.43149
8 2GEK GDP 1.47783
9 1YC4 43P 1.51515
10 1GQ2 OXL 1.63599
11 4OKD GLC GLC GLC 1.63599
12 1TV5 N8E 1.80587
13 3NB0 G6P 1.84049
14 4DDY DN6 1.90114
15 5VCM UDP 1.90931
16 6G5Q EMZ 2.00501
17 3BEO UDP 2.13333
18 4CCO OGA 2.14133
19 3OPT AKG 2.14477
20 3CV3 UDP 2.21675
21 5E70 RCD 2.24949
22 5CQG 55C 2.24949
23 6BR8 6OU 2.38095
24 1SQK LAR 2.38727
25 4B1X LAB 2.39362
26 3MPB FRU 2.43902
27 5U97 PIT 2.45399
28 1EXF GLY 2.47934
29 2BP1 FLC 2.5
30 3SHZ 5CO 2.59366
31 3CL7 HYN 2.5974
32 2HHP FLC 2.65849
33 4NES UDP 2.6738
34 2YJP CYS 2.74914
35 5ENZ UDP 2.85714
36 5GQX GLC GLC GLC 2.86299
37 4UDK BMA 2.88184
38 3FAL REA 2.89256
39 4X8D AVI 2.90828
40 4Z7X 3CX 2.94118
41 3PCJ INO 3
42 2F7A BEZ 3.01724
43 6FK6 DOK 3.0581
44 4TVD BGC 3.06748
45 3PN1 IVH 3.14465
46 2GC0 PAN 3.19149
47 3BJC WAN 3.27198
48 4GLW 0XT 3.27869
49 6D28 NEC 3.2967
50 2REG CHT 3.3557
51 3RV5 DXC 3.37079
52 1KKR 2AS 3.38983
53 2BHW NEX 3.44828
54 2BHW XAT 3.44828
55 4V1F BQ1 3.48837
56 5ICK FEZ 3.49345
57 1WOG 16D 3.60656
58 3A51 VDY 3.64964
59 6CGN DA 3.68098
60 6DIO CIT 3.7296
61 2BCG GER 3.75276
62 3B99 U51 3.78947
63 3I4X DST 3.87097
64 3Q3H UDP 3.88548
65 1QO0 BMD 3.8961
66 2G7C GLA GAL NAG 3.92157
67 3KO0 TFP 3.9604
68 6CB2 OLC 4.09556
69 1SVI GDP 4.10256
70 1XMY ROL 4.27136
71 1M2Z BOG 4.28016
72 4HPP GLU 4.28894
73 1NF8 BOG 4.34783
74 5YEE LAB 4.41176
75 2Q8G AZX 4.4226
76 5C9J STE 4.62633
77 5C9J DAO 4.62633
78 5AZC PGT 4.66667
79 4MGA 27L 4.70588
80 4TUZ 36J 4.70588
81 2HK9 SKM 4.72727
82 4OJ8 AKG 4.77816
83 1E4I NFG 4.9217
84 3T03 3T0 4.92958
85 2Z9I GLY ALA THR VAL 4.93827
86 5UC4 83S 5
87 2QZO KN1 5.03876
88 5CGE 51F 5.05415
89 3CV2 OXL 5.11247
90 2ZWS PLM 5.11247
91 4TV1 36M 5.17928
92 3KP6 SAL 5.29801
93 1RL4 BL5 5.31915
94 5U9J GER 5.32544
95 3X01 AMP 5.34351
96 5OCA 9QZ 5.46218
97 5NTP 98E 5.46218
98 3O01 DXC 5.51948
99 4M51 BEZ 5.62061
100 4B16 NAG 5.6391
101 1F6D UDP 5.85106
102 2Y9G LAT 6
103 2Y9G LBT 6
104 5WL1 D3D 6
105 5C1M OLC 6.08108
106 5C1M 4VO 6.08108
107 4MRP GSH 6.13497
108 4F97 GDP 6.13497
109 3UG4 AHR 6.13497
110 5TDF ADE 6.17284
111 4LH7 NMN 6.19195
112 2DUA OXL 6.2069
113 3VRV YSD 6.27306
114 1P19 IMP 6.33484
115 5FH7 5XL 6.45161
116 1O5Q PYR 6.55738
117 6D5V FVY 6.58683
118 6BVI EC4 6.58683
119 6BVL EBY 6.58683
120 1HBK MYR 6.74157
121 2OZ5 7XY 6.75676
122 6EK3 OUL 6.78733
123 2V5E SCR 6.93069
124 1T0S BML 6.97674
125 4V3I ASP LEU THR ARG PRO 7.00389
126 1LTZ HBI 7.07071
127 4S1D 41M 7.27273
128 4WGF HX2 7.31707
129 4G86 BNT 7.39437
130 5ZZA LAB 7.43802
131 3WUR O4B 7.60234
132 3MN5 LAB 7.89474
133 6AP6 TLF 8.17844
134 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 8.3682
135 1YYE 196 8.58209
136 6GYT GLY LEU GLY ALY GLY GLY ALA ALY ALA 8.69565
137 3G4Q MCH 8.90411
138 4RDN 6MD 8.98204
139 2AK3 AMP 9.29204
140 4LSJ LSJ 9.30233
141 1DTL BEP 9.31677
142 5ZZB LAB 9.55882
143 2YJD YJD 9.58333
144 6GMN F4E 9.61539
145 2C3Q GTX 9.7166
146 2XI7 XI7 9.78261
147 5EY0 GTP 9.85401
148 5OKT 9XK 9.87261
149 2Q1A 2KT 9.89761
150 5X80 SAL 10
151 5LWY OLB 10.084
152 5HZ9 5M8 10.3704
153 4F4S EFO 10.5263
154 3ZO7 K6H 10.6383
155 1RZM E4P 10.6509
156 5YLF BGC 10.7784
157 6MJ7 ARG 10.9091
158 3TW1 AHN 10.9705
159 4UMJ BFQ 11.1486
160 3UMV FAD 11.2474
161 1ZEI CRS 11.3208
162 1N13 AG2 11.5385
163 5LX9 OLB 11.6197
164 5Z84 CHD 20
165 5ZCO CHD 20
166 4UYF 73B 20.7792
167 3KPE TM3 21.5686
168 4OGQ 7PH 24.3243
169 5OM2 DXT 25
170 4B1W LAB 25
171 4CDN FAD 31.9502
172 4CDN FO1 31.9502
173 3PMA SCR 37.931
174 5ZM0 FAD 45.6033
175 1U3D FAD 46.0123
176 4GU5 FAD 46.8303
177 2J07 FAD 49.2857
178 2J07 HDF 49.2857
179 1QNF HDF 49.3802
180 1QNF FAD 49.3802
Pocket No.: 2; Query (leader) PDB : 1NP7; Ligand: FAD; Similar sites found with APoc: 64
This union binding pocket(no: 2) in the query (biounit: 1np7.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 6MVU K4V 1.02249
2 1ZED PNP 1.65289
3 5K8P 6R8 1.88235
4 4DE3 DN8 1.90114
5 1ZPD CIT 2.04499
6 2EXK XYS XYS 2.04499
7 3VSV XYP 2.24949
8 4ETZ C2E 2.3569
9 2UW1 GVM 2.36686
10 5XQL C2E 2.4055
11 2GBB CIT 2.5641
12 2JC9 ADN 2.65849
13 1P72 THM 2.69461
14 1DKF OLA 3.00429
15 1XX4 BAM 3.06513
16 5CX6 CDP 3.06748
17 4I9B 1KA 3.06748
18 5ZKC 3C0 3.27198
19 3B6C SDN 3.4188
20 5W7B MYR 3.5545
21 4P5Y NGA 3.59281
22 6G5J EM8 3.63636
23 1PZM 5GP 3.79147
24 1XVB BHL 3.85604
25 2IYF UDP 4.09639
26 5OSW DIU 4.29448
27 5CHR 4NC 4.37956
28 1E5Q SHR 4.44444
29 4OJ8 2TQ 4.77816
30 5HYR EST 5.03876
31 3NK7 SAM 5.05415
32 3E70 GDP 5.18293
33 2D2F ADP 5.2
34 1GY8 UDP 5.54156
35 3F8C HT1 5.55556
36 5V4R MGT 5.55556
37 5UGW GSH 5.71429
38 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 5.71429
39 4ZGM 32M 5.7377
40 4COL DTP 5.93047
41 5C1M CLR 6.08108
42 1ZOY UQ1 6.79612
43 4I90 CHT 6.93069
44 5MWE TCE 7.40741
45 4MNS 2AX 7.54717
46 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 8.16327
47 5XJD 87L 8.18182
48 4O4Z N2O 8.44156
49 5NM7 GLY 8.64662
50 3RET PYR 8.91089
51 3RET SAL 8.91089
52 4IBF 1D5 10.0775
53 3NJQ NJQ 10.3627
54 1MT1 AG2 11.5385
55 5X3R 7Y3 11.7073
56 3N7S 3N7 12.5
57 5KAU RHQ 12.7273
58 3E81 SLB 14.0244
59 5C83 4YN 17.2727
60 3GDN MXN 17.9959
61 5M36 9SZ 18.4211
62 2Y69 CHD 19.7674
63 5W97 CHD 20
64 5M37 9SZ 35
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