Receptor
PDB id Resolution Class Description Source Keywords
4F07 2.3 Å EC: 1.-.-.- STRUCTURE OF THE STYRENE MONOOXYGENASE FLAVIN REDUCTASE (SMO PSEUDOMONAS PUTIDA S12 PSEUDOMONAS NADH-DEPENDENTFLAVIN REDUCTASE SMOA OXIDOREDUCTASE
Ref.: STRUCTURE AND MECHANISM OF STYRENE MONOOXYGENASE RE NEW INSIGHT INTO THE FAD-TRANSFER REACTION. BIOCHEMISTRY V. 52 6063 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD H:201;
E:201;
G:201;
I:201;
K:500;
D:201;
J:201;
F:500;
A:201;
C:201;
B:201;
L:201;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
NO3 A:203;
B:202;
G:202;
J:203;
L:202;
H:202;
C:202;
D:202;
E:202;
A:202;
J:202;
I:202;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.005 N O3 [N+](...
SO4 D:204;
J:204;
D:203;
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
4F07 2.3 Å EC: 1.-.-.- STRUCTURE OF THE STYRENE MONOOXYGENASE FLAVIN REDUCTASE (SMO PSEUDOMONAS PUTIDA S12 PSEUDOMONAS NADH-DEPENDENTFLAVIN REDUCTASE SMOA OXIDOREDUCTASE
Ref.: STRUCTURE AND MECHANISM OF STYRENE MONOOXYGENASE RE NEW INSIGHT INTO THE FAD-TRANSFER REACTION. BIOCHEMISTRY V. 52 6063 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4F07 - 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 247 families.
1 4F07 - 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 2 families.
1 2D38 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2D37 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 2D36 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4F07 - 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 : 4F07; 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: 4f07.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4F07; Ligand: FAD; Similar sites found: 63
This union binding pocket(no: 2) in the query (biounit: 4f07.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QKQ MAN 0.009383 0.43061 None
2 2I0D MUT 0.02129 0.41621 None
3 4WQM FAD 0.005339 0.40893 1.05263
4 1SM4 FAD 0.007171 0.40861 1.57895
5 4HMX FMN 0.001513 0.40646 1.57895
6 4HMX WUB 0.004898 0.4007 1.57895
7 3BP1 GUN 0.01717 0.4146 2.10526
8 3WD6 GSH 0.0194 0.4061 2.10526
9 1QX4 FAD 0.002362 0.43861 2.55474
10 1EWY FAD 0.004914 0.42002 2.63158
11 4G1V FAD 0.005027 0.41613 2.63158
12 2BSA FAD 0.02369 0.40659 2.63158
13 2BSA NAP 0.02454 0.40659 2.63158
14 3UEC ALA ARG TPO LYS 0.001904 0.47183 2.73973
15 3QX9 ATP 0.005411 0.43979 2.89855
16 3LRE ADP 0.0365 0.40343 3.15789
17 1FND FAD 0.01611 0.40099 3.15789
18 1FND A2P 0.01611 0.40099 3.15789
19 3W2E NAD 0.001929 0.44942 3.68421
20 3W2E FAD 0.001929 0.44942 3.68421
21 3VO1 FAD 0.00432 0.41857 3.68421
22 3A3B RBF 0.0009635 0.46865 4.21053
23 3A3B FMN 0.0009917 0.46803 4.21053
24 2OG2 MLI 0.01907 0.42406 4.21053
25 2PIA FMN 0.002117 0.42074 4.21053
26 3JQQ FAD 0.00992 0.41575 4.21053
27 3JQQ A2P 0.01002 0.41032 4.21053
28 2VOH CIT 0.00355 0.4197 4.4586
29 2CND FAD 0.003778 0.41009 4.73684
30 5JE0 SAH 0.0106 0.40571 4.73684
31 5JE0 AZ8 0.0106 0.40571 4.73684
32 5VW2 FDA 0.01921 0.40436 4.73684
33 5VW2 NAP 0.01921 0.40436 4.73684
34 3NOJ PYR 0.003788 0.46324 5.78947
35 3B0X DGT 0.01505 0.40504 5.78947
36 3JUC PCA 0.0176 0.40829 6.53595
37 1VHZ APR 0.02079 0.40952 6.56566
38 2Z48 A2G 0.005611 0.44524 7.36842
39 2Z49 AMG 0.0042 0.42926 7.36842
40 2Z48 NGA 0.009082 0.42124 7.36842
41 4USS GSH 0.01534 0.41318 7.36842
42 4IRP UDP 0.0298 0.40114 7.36842
43 2QQC AG2 0.00636 0.43507 7.54717
44 1N13 AG2 0.004706 0.44215 7.69231
45 3R5Z F42 0.00193 0.42968 8.27586
46 1EJE FMN 0.000001236 0.56414 8.85417
47 4ZAD 4LU 0.0008586 0.44661 8.94737
48 5GXU FAD 0.006928 0.41001 9.47368
49 3IT7 TLA 0.03966 0.40004 9.47368
50 2J5V PCA 0.03362 0.41533 10
51 1KZL CRM 0.0009225 0.40695 10.5769
52 1KRH FAD 0.001334 0.42922 12.1053
53 3OZV ECN 0.0118 0.41936 12.1053
54 3OZV FAD 0.0115 0.41651 12.1053
55 3R5Y F42 0.0009227 0.44354 12.9252
56 1TLL FAD 0.006234 0.40087 16.8421
57 1F20 FAD 0.003219 0.41303 17.3684
58 1FLM FMN 0.002419 0.42199 18.8525
59 1GXU 2HP 0.04715 0.4081 20.8791
60 3KU0 ADE 0.02298 0.40223 23.1579
61 3ZOD HQE 0.0000001697 0.61002 31.0526
62 1YOA FAD 0.0000008985 0.54212 38.9937
63 3CB0 FMN 0.00000003622 0.57171 47.9769
Pocket No.: 3; Query (leader) PDB : 4F07; 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: 4f07.bio4) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4F07; Ligand: FAD; Similar sites found: 7
This union binding pocket(no: 4) in the query (biounit: 4f07.bio4) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GUZ PAF 0.01999 0.40182 2.84091
2 4TR1 GSH 0.02115 0.40625 3.26087
3 1D8C SOR 0.01994 0.40723 4.21053
4 2QTZ NAP 0.01701 0.40098 4.21053
5 2QTZ FAD 0.003784 0.40098 4.21053
6 4RHS SIA SIA GAL 0.01006 0.40055 15.5738
7 3ZOD FMN 0.02802 0.40727 31.0526
Pocket No.: 5; Query (leader) PDB : 4F07; 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: 4f07.bio6) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4F07; Ligand: FAD; Similar sites found: 3
This union binding pocket(no: 6) in the query (biounit: 4f07.bio6) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4M6T SAM 0.02942 0.40087 4.37158
2 4JLS 3ZE 0.02198 0.40617 5.26316
3 5HCF BGC 0.03751 0.40266 7.36842
Pocket No.: 7; Query (leader) PDB : 4F07; 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: 4f07.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4F07; Ligand: FAD; Similar sites found: 7
This union binding pocket(no: 8) in the query (biounit: 4f07.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GWC GTX 0.01992 0.40076 1.57895
2 2QS8 MET 0.02307 0.40153 3.15789
3 1D8C GLV 0.03933 0.40357 4.21053
4 4HY1 19X 0.02294 0.40165 4.21053
5 5T96 79J 0.01776 0.41184 4.73684
6 2RC5 FAD 0.006948 0.40065 4.73684
7 3NHB ADP 0.03243 0.4011 20.5263
Pocket No.: 9; Query (leader) PDB : 4F07; 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: 4f07.bio5) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4F07; Ligand: FAD; Similar sites found: 1
This union binding pocket(no: 10) in the query (biounit: 4f07.bio5) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2W58 ADP 0.03395 0.4004 7.89474
Pocket No.: 11; Query (leader) PDB : 4F07; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4f07.bio3) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4F07; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4f07.bio3) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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