Receptor
PDB id Resolution Class Description Source Keywords
1X0P 2 Å NON-ENZYME: TRANSPORT STRUCTURE OF A CYANOBACTERIAL BLUF PROTEIN, TLL0078 THERMOSYNECHOCOCCUS ELONGATUS BLUF TLL0078 FAD STRUCTURAL GENOMICS ELECTRON TRANSPORT
Ref.: STRUCTURE OF A CYANOBACTERIAL BLUF PROTEIN, TLL0078 CONTAINING A NOVEL FAD-BINDING BLUE LIGHT SENSOR DO J.MOL.BIOL. V. 349 1 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:9150;
B:9151;
C:9152;
D:9153;
E:9154;
F:9155;
G:9156;
H:9157;
I:9158;
J:9159;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1X0P 2 Å NON-ENZYME: TRANSPORT STRUCTURE OF A CYANOBACTERIAL BLUF PROTEIN, TLL0078 THERMOSYNECHOCOCCUS ELONGATUS BLUF TLL0078 FAD STRUCTURAL GENOMICS ELECTRON TRANSPORT
Ref.: STRUCTURE OF A CYANOBACTERIAL BLUF PROTEIN, TLL0078 CONTAINING A NOVEL FAD-BINDING BLUE LIGHT SENSOR DO J.MOL.BIOL. V. 349 1 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 1X0P - 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 166 families.
1 1X0P - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 1X0P - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 2HFN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3MZI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2HFO - FMN C17 H21 N4 O9 P 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 : 1X0P; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1x0p.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1X0P; Ligand: FAD; 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: 1x0p.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1X0P; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1x0p.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1X0P; Ligand: FAD; Similar sites found: 107
This union binding pocket(no: 4) in the query (biounit: 1x0p.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2P7Q GG6 0.005564 0.4276 None
2 1JGS SAL 0.01556 0.42497 None
3 5CSD ACD 0.01977 0.41145 None
4 1ULE GLA GAL NAG 0.009909 0.41027 None
5 1IYB 5GP 0.01122 0.40776 None
6 2YLD CMO 0.01589 0.40705 None
7 2YMZ LAT 0.006776 0.40694 None
8 4MA7 P2Z 0.02377 0.40409 None
9 4TR9 38D 0.01653 0.40383 None
10 1SLT NDG GAL 0.01799 0.40365 None
11 3ZW2 GAL FUC 0.009917 0.40189 None
12 5AIG VPR 0.01227 0.4016 None
13 3OYW TDG 0.01036 0.41408 1.49254
14 5CXI 5TW 0.008058 0.40425 2.0979
15 5B4B LP5 0.002357 0.44806 2.7972
16 3P3G UKW 0.01285 0.41133 2.7972
17 3P3G 3P3 0.01285 0.41133 2.7972
18 4D4U FUC GAL 0.01249 0.40918 2.7972
19 5SVV FMN 0.001258 0.41339 2.91971
20 3KO0 TFP 0.02678 0.40015 2.9703
21 4WVW SLT 0.00357 0.44168 3.4965
22 1A0T SUC 0.009055 0.41344 3.4965
23 4IA6 EIC 0.01785 0.40113 3.4965
24 1QNR MAB 0.001862 0.45173 4.1958
25 4Q0L V14 0.01259 0.40753 4.1958
26 3OPT AKG 0.01847 0.40369 4.1958
27 3HQP OXL 0.01734 0.40139 4.1958
28 1H8S AIC 0.01609 0.40011 4.1958
29 3T50 FMN 0.0001966 0.45003 4.6875
30 5LUN OGA 0.01111 0.41257 4.8951
31 4DW4 U5P 0.008335 0.40144 4.8951
32 2QL9 CIT 0.0007162 0.47132 5.59441
33 2WKQ FMN 0.0005784 0.43146 5.59441
34 3P7N FMN 0.001045 0.42266 5.59441
35 2GKL PD2 0.003925 0.42052 5.59441
36 4IGQ OGA 0.008361 0.41987 5.59441
37 5DJU FMN 0.0008959 0.41684 5.59441
38 3ZQE DXC 0.01602 0.41384 5.59441
39 3W68 VIV 0.0009335 0.40971 5.59441
40 5IH9 6BF 0.02326 0.40588 5.59441
41 3O01 DXC 0.02878 0.40227 5.59441
42 4DXJ IPE 0.02466 0.40132 5.59441
43 4D1J DGJ 0.005398 0.43298 6.29371
44 5EW0 3C7 0.004625 0.43162 6.29371
45 1AUA BOG 0.01262 0.40978 6.29371
46 3HP9 CF1 0.01674 0.40597 6.29371
47 5IXJ THR 0.02151 0.40304 6.29371
48 4R38 RBF 0.002226 0.40485 6.42857
49 3LDW ZOL 0.008549 0.42372 6.99301
50 4FHD EEM 0.009369 0.42179 6.99301
51 3BJC WAN 0.009521 0.41593 6.99301
52 4MG9 27K 0.01539 0.40547 6.99301
53 2Z6D FMN 0.001436 0.4182 7.69231
54 4N7C AEF 0.01641 0.4056 7.69231
55 4MA6 28E 0.01546 0.40536 7.69231
56 2ET1 GLV 0.01915 0.40282 7.69231
57 4QEK GLC 0.04384 0.40834 8.39161
58 3GM5 CIT 0.0144 0.40573 8.80503
59 2YFB SIN 0.009567 0.41271 9.09091
60 3SAO NKN 0.007055 0.40471 9.09091
61 5UQD AKG 0.01825 0.40275 9.09091
62 4K55 H6P 0.0002824 0.5059 9.67742
63 4N14 WR7 0.001995 0.44365 9.79021
64 4ORM FMN 0.02636 0.42361 9.79021
65 4ORM 2V6 0.02636 0.42361 9.79021
66 2XMY CDK 0.02838 0.42132 9.79021
67 4B1M FRU FRU 0.009887 0.41599 9.79021
68 1UCD U5P 0.01161 0.41499 9.79021
69 3WFD AXO 0.01923 0.41263 9.79021
70 1TV5 N8E 0.02393 0.40147 10.4895
71 4MLO PAM 0.008552 0.40093 10.4895
72 4GCZ FMN 0.0002313 0.44682 11.1888
73 4MNS 2AX 0.03049 0.41079 11.1888
74 5LGA 6VH 0.02623 0.4033 11.8881
75 2PR5 FMN 0.0003094 0.44273 12.1212
76 4NAO AKG 0.008826 0.42085 12.5874
77 3QRC SCR 0.002738 0.41713 12.5874
78 3AQT RCO 0.01181 0.41551 12.5874
79 1ZEI CRS 0.01861 0.40131 13.2075
80 2V0U FMN 0.0003894 0.43833 13.2867
81 1IND EOT 0.01571 0.40834 13.2867
82 5V1B 8UY 0.006578 0.42397 13.986
83 2AXR ABL 0.01977 0.40278 13.986
84 2Z6C FMN 0.001921 0.41278 14.7287
85 1Y2F WAI 0.02279 0.40287 15.1079
86 4EES FMN 0.000595 0.42551 15.6522
87 1ZM1 BGC BGC BGC 0.005257 0.40403 16.0839
88 4LIT AKG 0.01881 0.40272 16.0839
89 5EFW FMN 0.0007205 0.42788 16.6667
90 2AF6 BRU 0.01907 0.40261 16.7832
91 5DJT FMN 0.0006377 0.45886 19.6721
92 3MI3 LYS 0.007454 0.42125 20.979
93 2Y69 CHD 0.02572 0.40132 21.6783
94 5DKK FMN 0.0005015 0.43433 22.3776
95 5N8V KZZ 0.002018 0.40444 24.6377
96 5C9J DAO 0.003908 0.40727 25.2525
97 5LY2 OGA 0.008323 0.42094 26.5734
98 2OS2 OGA 0.01629 0.40609 26.5734
99 2Q8E OGA 0.01782 0.40391 26.5734
100 2YBP 2HG 0.01876 0.40275 26.5734
101 2Q8C AKG 0.01713 0.40273 26.5734
102 4D06 NAR 0.01188 0.40397 27.2727
103 2BYC FMN 0.0000000000002401 0.87592 32.8467
104 2IYG FMN 0.0000000000004788 0.87771 38.7097
105 3GFZ FMN 0.00000000005268 0.78357 39.1608
106 1YRX FMN 0.00000000002021 0.78928 39.6694
107 5MBC FMN 0.0000000000009733 0.85381 44.0559
Pocket No.: 5; Query (leader) PDB : 1X0P; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1x0p.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1X0P; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1x0p.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1X0P; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1x0p.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1X0P; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1x0p.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1X0P; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1x0p.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1X0P; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1x0p.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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