Receptor
PDB id Resolution Class Description Source Keywords
3EWK 2.34 Å EC: 2.7.13.3 STRUCTURE OF THE REDOX SENSOR DOMAIN OF METHYLOCOCCUS CAPSUL (BATH) MMOS METHYLOCOCCUS CAPSULATUS PAS DOMAIN ALPHA/BETA FOLD KINASE PHOSPHOPROTEIN TRANSFEFLAVOPROTEIN
Ref.: STRUCTURE OF THE REDOX SENSOR DOMAIN OF METHYLOCOCC CAPSULATUS (BATH) MMOS. BIOCHEMISTRY V. 48 2207 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:327;
Invalid;
none;
submit data
35.453 Cl [Cl-]
FAD A:326;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GOL A:386;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EWK 2.34 Å EC: 2.7.13.3 STRUCTURE OF THE REDOX SENSOR DOMAIN OF METHYLOCOCCUS CAPSUL (BATH) MMOS METHYLOCOCCUS CAPSULATUS PAS DOMAIN ALPHA/BETA FOLD KINASE PHOSPHOPROTEIN TRANSFEFLAVOPROTEIN
Ref.: STRUCTURE OF THE REDOX SENSOR DOMAIN OF METHYLOCOCC CAPSULATUS (BATH) MMOS. BIOCHEMISTRY V. 48 2207 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3EWK - 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 18 families.
1 3EWK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 3EWK - 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 : 3EWK; Ligand: FAD; Similar sites found: 112
This union binding pocket(no: 1) in the query (biounit: 3ewk.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.00378 0.42913 None
2 4INI AMP 0.004482 0.41995 None
3 4LWU 20U 0.005641 0.41536 None
4 2YLD CMO 0.01421 0.41228 None
5 5CHR 4NC 0.0199 0.40796 None
6 4XBT 3ZQ 0.01425 0.4005 None
7 4UCC ZKW 0.02624 0.40604 1.32159
8 1NF8 BOG 0.0005896 0.50212 1.44928
9 1XX4 BAM 0.007824 0.41892 1.76211
10 1YMT DR9 0.01074 0.40474 1.76211
11 2GBB CIT 0.003362 0.4397 1.92308
12 3ZQE DXC 0.004507 0.45014 2.20264
13 3O01 DXC 0.01114 0.43558 2.20264
14 2OCI TYC 0.01648 0.412 2.20264
15 3RV5 DXC 0.0007296 0.42771 2.24719
16 1Y75 NAG 0.006532 0.42542 2.54237
17 1L0I PSR 0.02407 0.40953 2.5641
18 4MRP GSH 0.01999 0.4247 2.64317
19 3OPT AKG 0.02719 0.401 2.64317
20 1M2Z BOG 0.0006827 0.50658 3.0837
21 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.002627 0.46048 3.0837
22 1J71 THR ILE THR SER 0.00922 0.42383 3.0837
23 2YJD YJD 0.003043 0.42349 3.0837
24 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.01348 0.41759 3.0837
25 1YYE 196 0.006264 0.41327 3.0837
26 2I0G I0G 0.02157 0.41062 3.0837
27 3OLL EST 0.00593 0.41046 3.0837
28 5A1S FLC 0.01882 0.41003 3.0837
29 3W54 RNB 0.01021 0.40349 3.0837
30 4EKQ NPO 0.001943 0.44623 3.20856
31 4URX FK1 0.01812 0.42885 3.24324
32 4RHS SIA SIA GAL 0.02791 0.41693 3.27869
33 4DVR 0LY 0.008795 0.4104 3.30189
34 1XZ3 ICF 0.006645 0.45541 3.44828
35 2CB8 MYA 0.008946 0.42788 3.44828
36 2HFK E4H 0.01757 0.40839 3.52423
37 2C5S AMP 0.01742 0.40424 3.52423
38 3IA4 MTX 0.01211 0.40007 3.7037
39 3U1T MLI 0.01152 0.41932 3.96476
40 3FAL REA 0.007902 0.41682 3.96476
41 1AUA BOG 0.02378 0.40165 3.96476
42 4EKV BTN 0.005129 0.42145 4.40252
43 4OKD GLC GLC GLC 0.003373 0.44709 4.40529
44 4I53 1C1 0.003502 0.41504 4.40529
45 4Z28 BTN 0.006274 0.42166 4.47761
46 4UY1 TJM 0.007597 0.4134 4.58015
47 2HHP FLC 0.001299 0.43088 4.84582
48 4M26 AKG 0.02288 0.4042 4.84582
49 4WGF HX2 0.01302 0.40749 4.87805
50 3EW2 BTN 0.004201 0.43491 5.18518
51 4GGZ BTN 0.004014 0.42646 5.21739
52 1TV5 N8E 0.006086 0.43189 5.28634
53 4V3I ASP LEU THR ARG PRO 0.01929 0.41489 5.83658
54 2RDG NDG FUC SIA GAL 0.01784 0.41585 6.12245
55 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.00152 0.48849 6.1674
56 1ECM TSA 0.00359 0.43829 6.42202
57 5HDA SER MET PRO GLU LEU SER PRO VAL LEU 0.01251 0.42119 6.45161
58 5TVI MYR 0.01255 0.44283 6.52174
59 1E4I NFG 0.0003592 0.51819 6.60793
60 5KOD IAC 0.009904 0.42298 6.60793
61 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.04816 0.40186 6.60793
62 1R6N 434 0.003358 0.4517 6.63507
63 4HBM 0Y7 0.009989 0.40027 6.66667
64 4JNJ BTN 0.008029 0.4083 6.95652
65 5X7Q GLC GLC GLC GLC GLC 0.01465 0.41552 7.04846
66 2YBP 2HG 0.02213 0.40608 7.04846
67 2OS2 OGA 0.02592 0.40234 7.04846
68 2Q8E OGA 0.02727 0.40098 7.04846
69 4OAS 2SW 0.00331 0.42601 7.29167
70 2Q8H TF4 0.01092 0.41562 7.48899
71 3N1S 5GP 0.002566 0.43561 7.56302
72 2F2G HMH 0.009668 0.43031 7.69231
73 5XVQ 8GC 0.0173 0.41051 9.2511
74 1XVB 3BR 0.01551 0.40264 10.1322
75 5N8V KZZ 0.01744 0.40422 10.1449
76 4NS0 PIO 0.01139 0.42467 12.0301
77 4ELG 52J 0.00116 0.41438 12.0482
78 4TS1 TYR 0.02229 0.40309 12.3348
79 3KO0 TFP 0.005516 0.42522 12.8713
80 3MTX PGT 0.01826 0.40249 13.245
81 1YRO UDP 0.03306 0.40098 14.6341
82 5LX9 OLB 0.004821 0.4185 14.978
83 3P7N FMN 0.0001805 0.46839 15.859
84 4TV1 36M 0.0009129 0.47377 17.6211
85 4MGA 27L 0.002832 0.45963 17.6211
86 4MGD 27N 0.003993 0.42226 17.6211
87 5DXE EST 0.004139 0.42155 17.6211
88 4MG8 27J 0.004416 0.42025 17.6211
89 3UUD EST 0.004735 0.41886 17.6211
90 5HYR EST 0.00486 0.41834 17.6211
91 2QA8 GEN 0.005093 0.4174 17.6211
92 3UUA 0CZ 0.01327 0.40592 17.6211
93 5DXG EST 0.01256 0.40309 17.6211
94 1PS9 FAD 0.0138 0.41404 22.9075
95 4HIA FMN 0.00001369 0.42864 23.2955
96 2WKQ FMN 0.00002803 0.5031 25.9912
97 4WUJ FMN 0.0001205 0.47592 27.8912
98 3IS2 FAD 0.00002145 0.4557 27.9221
99 3D72 FAD 0.00003901 0.43729 28.8591
100 5DKK FMN 0.00001815 0.5112 30.3448
101 5SVV FMN 0.00002402 0.4976 30.6569
102 2V0U FMN 0.00001802 0.51134 31.5068
103 5EFW FMN 0.00001669 0.51277 31.7241
104 5DJU FMN 0.00001739 0.50357 31.7241
105 5DJT FMN 0.00002829 0.50293 31.7241
106 4WN5 MVC 0.002356 0.40395 32.1739
107 4GCZ FMN 0.00002417 0.50587 34.3612
108 2PR5 FMN 0.00002181 0.50778 36.3636
109 4EES FMN 0.00002361 0.49789 39.1304
110 2Z6C FMN 0.000006714 0.52974 40.3101
111 2Z6D FMN 0.00006289 0.48804 44.6154
112 1N9L FMN 0.00002681 0.50393 44.9541
Feedback