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 38 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 35 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 922 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: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NP7; Ligand: FAD; Similar sites found: 83
This union binding pocket(no: 1) in the query (biounit: 1np7.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.001569 0.47529 None
2 2XN5 FUN 0.0173 0.41253 1.14286
3 4OKD GLC GLC GLC 0.03372 0.40866 1.63599
4 1TV5 N8E 0.0177 0.42042 1.80587
5 4CCO OGA 0.03309 0.40595 2.14133
6 3OPT AKG 0.04268 0.40107 2.14477
7 3CV3 UDP 0.007198 0.41598 2.21675
8 5E70 RCD 0.0461 0.40497 2.24949
9 5CQG 55C 0.03029 0.40059 2.24949
10 1SQK LAR 0.0124 0.41982 2.38727
11 4B1X LAB 0.02697 0.4066 2.39362
12 3MPB FRU 0.0156 0.40727 2.43902
13 1EXF GLY 0.003175 0.43549 2.47934
14 2BP1 FLC 0.03332 0.40389 2.5
15 3SHZ 5CO 0.009519 0.4256 2.59366
16 2HHP FLC 0.001176 0.41194 2.65849
17 2YJP CYS 0.02188 0.41766 2.74914
18 5GQX GLC GLC GLC 0.03015 0.42434 2.86299
19 3FAL REA 0.009341 0.41798 2.89256
20 4X8D AVI 0.02544 0.40409 2.90828
21 4Z7X 3CX 0.02384 0.40683 2.94118
22 4TVD BGC 0.03994 0.40444 3.06748
23 2GC0 PAN 0.009586 0.41027 3.19149
24 4GLW 0XT 0.02686 0.40669 3.27869
25 1QY8 RDI 0.005339 0.42568 3.34572
26 1KKR 2AS 0.004123 0.45553 3.38983
27 1WOG 16D 0.02275 0.42316 3.60656
28 3A51 VDY 0.01868 0.40014 3.64964
29 3B99 U51 0.01354 0.41395 3.78947
30 3Q3H UDP 0.01262 0.4282 3.88548
31 1QO0 BMD 0.03112 0.40947 3.8961
32 3KO0 TFP 0.0257 0.40919 3.9604
33 1SVI GDP 0.03144 0.40314 4.10256
34 1XMY ROL 0.02479 0.40851 4.27136
35 1M2Z BOG 0.02475 0.41969 4.28016
36 4HPP GLU 0.04074 0.4036 4.28894
37 1NF8 BOG 0.008622 0.44568 4.34783
38 4UY1 TJM 0.01193 0.41666 4.58015
39 5C9J STE 0.007224 0.4092 4.62633
40 4MGA 27L 0.01882 0.42307 4.70588
41 4TUZ 36J 0.01662 0.40957 4.70588
42 2HK9 SKM 0.04745 0.40104 4.72727
43 4OJ8 AKG 0.0085 0.40609 4.77816
44 1E4I NFG 0.003239 0.43775 4.9217
45 2Z9I GLY ALA THR VAL 0.04349 0.40743 4.93827
46 3CV2 OXL 0.01592 0.42771 5.11247
47 2ZWS PLM 0.04817 0.4158 5.11247
48 4TV1 36M 0.00625 0.44434 5.17928
49 3KP6 SAL 0.03161 0.40831 5.29801
50 1RL4 BL5 0.01537 0.43402 5.31915
51 5U9J GER 0.006382 0.43893 5.32544
52 3X01 AMP 0.01174 0.43166 5.34351
53 5OCA 9QZ 0.02755 0.41696 5.46218
54 4M51 BEZ 0.005582 0.43114 5.62061
55 1F6D UDP 0.02141 0.40786 5.85106
56 2Y9G LAT 0.01175 0.42824 6
57 2Y9G LBT 0.01175 0.42824 6
58 5TDF ADE 0.001035 0.44361 6.17284
59 4LH7 NMN 0.01042 0.43377 6.19195
60 2V5E SCR 0.0339 0.40784 6.93069
61 4V3I ASP LEU THR ARG PRO 0.00306 0.46672 7.00389
62 1LTZ HBI 0.003726 0.45618 7.07071
63 4S1D 41M 0.04139 0.40073 7.27273
64 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.0377 0.40583 8.3682
65 2YJD YJD 0.008567 0.41605 9.58333
66 2XI7 XI7 0.00167 0.41574 9.78261
67 2Q1A 2KT 0.02044 0.4188 9.89761
68 4F4S EFO 0.03573 0.40416 10.5263
69 1RZM E4P 0.0349 0.40208 10.6509
70 3TW1 AHN 0.04329 0.40137 10.9705
71 3UMV FAD 0.00000000002347 0.7251 11.2474
72 4B1Y LAB 0.03012 0.40411 18.75
73 4UYF 73B 0.02228 0.41511 20.7792
74 4B1W LAB 0.02284 0.40644 25
75 4CDN FAD 0.00000000001433 0.72512 31.9502
76 4CDN FO1 0.0000000001789 0.52662 31.9502
77 3PMA SCR 0.02535 0.40305 37.931
78 1U3D FAD 0.00000000000002309 0.83269 46.0123
79 4GU5 FAD 0.0000000000004999 0.78127 46.8303
80 2J07 FAD 0.000000000001703 0.81082 49.2857
81 2J07 HDF 0.000000000001703 0.57158 49.2857
82 1QNF FAD 0.000000000000003886 0.8624 49.3802
83 1QNF HDF 0.0000000000000977 0.59654 49.3802
Pocket No.: 2; Query (leader) PDB : 1NP7; Ligand: FAD; Similar sites found: 30
This union binding pocket(no: 2) in the query (biounit: 1np7.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5VZ0 ADP 0.01755 0.40269 1.43149
2 4ETZ C2E 0.03431 0.40238 2.3569
3 1DKF OLA 0.0165 0.40739 3.00429
4 1XX4 BAM 0.02691 0.41797 3.06513
5 5CX6 CDP 0.02284 0.41822 3.06748
6 4I9B 1KA 0.02844 0.40962 3.06748
7 3RV5 DXC 0.000812 0.46691 3.37079
8 4N39 UDP 0.01824 0.4019 3.47648
9 1PZM 5GP 0.03363 0.40284 3.79147
10 2VUZ NAG BMA NAG MAN MAN NAG NAG 0.04687 0.40056 3.87597
11 2IYF UDP 0.02146 0.41302 4.09639
12 5CHR 4NC 0.02773 0.41342 4.37956
13 4OJ8 2TQ 0.008466 0.4015 4.77816
14 2D2F ADP 0.009983 0.44884 5.2
15 1GY8 UDP 0.01811 0.41281 5.54156
16 5V4R MGT 0.02168 0.42362 5.55556
17 5UGW GSH 0.00113 0.50228 5.71429
18 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.007315 0.4327 5.71429
19 4ZGM 32M 0.009326 0.45084 5.7377
20 4ZOM 4Q3 0.01703 0.40331 5.77778
21 4COL DTP 0.01889 0.40118 5.93047
22 1ZOY UQ1 0.01175 0.43512 6.79612
23 5MWE TCE 0.0263 0.41251 7.40741
24 1YYE 196 0.02266 0.40071 8.58209
25 3RET SAL 0.007616 0.42358 8.91089
26 3RET PYR 0.007616 0.42358 8.91089
27 4IBF 1D5 0.0234 0.40004 10.0775
28 5LWY OLB 0.02145 0.40187 10.084
29 3N7S 3N7 0.01611 0.43511 12.5
30 5C83 4YN 0.01766 0.41742 17.2727
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