Receptor
PDB id Resolution Class Description Source Keywords
1AG9 1.8 Å NON-ENZYME: TRANSPORT FLAVODOXINS THAT ARE REQUIRED FOR ENZYME ACTIVATION: THE STRUCTURE OF OXIDIZED FLAVODOXIN FROM ESCHERICHIA COLI AT 1 .8 ANGSTROMS RESOLUTION. ESCHERICHIA COLI ELECTRON TRANSPORT REDUCTIVE ACTIVATION FLAVODOXIN ESCHERICHIA COLI
Ref.: A FLAVODOXIN THAT IS REQUIRED FOR ENZYME ACTIVATION: THE STRUCTURE OF OXIDIZED FLAVODOXIN FROM ESCHERICHIA COLI AT 1.8 A RESOLUTION. PROTEIN SCI. V. 6 2525 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTB A:351;
B:301;
Invalid;
Invalid;
none;
none;
submit data
209.24 C8 H19 N O5 C(CO)...
CA A:200;
A:350;
B:1000;
B:300;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL A:405;
B:404;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
FMN A:177;
B:177;
Valid;
Valid;
none;
none;
Ki = 1 nM
456.344 C17 H21 N4 O9 P Cc1cc...
NA A:400;
A:401;
B:402;
B:403;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AG9 1.8 Å NON-ENZYME: TRANSPORT FLAVODOXINS THAT ARE REQUIRED FOR ENZYME ACTIVATION: THE STRUCTURE OF OXIDIZED FLAVODOXIN FROM ESCHERICHIA COLI AT 1 .8 ANGSTROMS RESOLUTION. ESCHERICHIA COLI ELECTRON TRANSPORT REDUCTIVE ACTIVATION FLAVODOXIN ESCHERICHIA COLI
Ref.: A FLAVODOXIN THAT IS REQUIRED FOR ENZYME ACTIVATION: THE STRUCTURE OF OXIDIZED FLAVODOXIN FROM ESCHERICHIA COLI AT 1.8 A RESOLUTION. PROTEIN SCI. V. 6 2525 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 179 families.
1 1AG9 Ki = 1 nM FMN C17 H21 N4 O9 P 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 149 families.
1 1AG9 Ki = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 623 families.
1 2WC1 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1YOB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1D04 Kd = 0.38 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1CZL Kd = 1.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 1CZH Kd = 3.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1CZO Kd = 0.35 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 3ESY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 1OBV Kd = 1.04 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 3ESZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1RCF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 2V5U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 2V5V Kd = 4.8 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1OBO Kd = 6.72 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 3ESX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 2BMV - BEN C7 H8 N2 [H]N=C(c1c....
23 1FUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 2FCR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 1AG9 Ki = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AG9; Ligand: FMN; Similar sites found: 126
This union binding pocket(no: 1) in the query (biounit: 1ag9.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4HEQ FMN 1.087e-11 0.77824
2 1RLJ FMN 4.029e-10 0.72119
3 4N82 FMN 5.344e-10 0.71581
4 4OXX FMN 3.097e-10 0.71581
5 1B1C FMN 3.179e-10 0.71533
6 4N82 FMN 6.632e-10 0.7117
7 3FJO FMN 3.246e-10 0.69717
8 4H2D FMN 1.847e-09 0.68253
9 3F6R FMN 1.995e-09 0.6811
10 2XOD FMN 9.549e-10 0.67883
11 3F6R FMN 1.292e-09 0.67806
12 3F6R FMN 8.011e-10 0.6753
13 4H2D FMN 7.72e-09 0.67448
14 3F6R FMN 3.482e-09 0.67427
15 1BVY FMN 5.728e-10 0.67139
16 1TLL FMN 2.679e-10 0.65733
17 3KAP FMN 2.625e-09 0.64555
18 4BMO FMN 4.403e-09 0.58987
19 3LN9 FLC 4.319e-05 0.56885
20 3N39 FMN 1.778e-07 0.55371
21 4D02 FMN 5.357e-06 0.53394
22 2Q9U FMN 1.027e-05 0.52181
23 2OHH FMN 3.245e-06 0.50288
24 2OHH FMN 3.245e-06 0.50288
25 3GFS FMN 0.0001197 0.4982
26 2OHH FMN 1.093e-05 0.49133
27 3GFS FMN 0.0001646 0.48033
28 3HQP FDP 0.0003908 0.4798
29 1E5D FMN 1.472e-05 0.47781
30 3HQP FDP 0.0004391 0.47736
31 3HQP FDP 0.0004831 0.46972
32 3HQP FDP 0.0005172 0.46833
33 1T5B FMN 0.0001893 0.4675
34 4KCT FDP 0.0005503 0.46706
35 3HQP FDP 0.0007296 0.46674
36 3HQP FDP 0.000579 0.46602
37 3HQP FDP 0.0005846 0.46582
38 3HQP FDP 0.0005995 0.46531
39 3HQP FDP 0.0006131 0.46485
40 3HQP FDP 0.0006179 0.46469
41 3HQP FDP 0.0006821 0.46268
42 3HQP FDP 0.0007424 0.46095
43 3HQP FDP 0.0009204 0.45656
44 2Z9C FMN 0.0002362 0.45578
45 4PTZ FMN 0.0004876 0.45441
46 4PTZ FMN 0.0005394 0.44799
47 3N9R TD3 0.002371 0.44721
48 4IP7 FBP 0.001047 0.44429
49 4B2D FBP 0.001063 0.444
50 1T0I FMN 0.0007284 0.44238
51 1T0I FMN 0.0007284 0.44238
52 4LTN FMN 0.0005158 0.44196
53 1NH8 AMP 0.006646 0.43845
54 3N9R TD3 0.00285 0.43821
55 1H4W BEN 0.006384 0.43347
56 3HQP FDP 0.003582 0.43342
57 1UDH URA 0.006283 0.43304
58 3HQP FDP 0.005944 0.43241
59 4OWK NGA 0.004926 0.4312
60 3HQP FDP 0.004021 0.43099
61 4OWK NGA 0.00727 0.43066
62 2O2C G6Q 0.002199 0.42982
63 4LTN NAI 0.0005342 0.42892
64 1A0J BEN 0.008533 0.42662
65 1A0J BEN 0.008533 0.42662
66 4OWK NGA 0.005816 0.42533
67 4M51 BEZ 0.01174 0.42412
68 4OWK NGA 0.006965 0.4233
69 4L77 CNL 0.008989 0.42326
70 3IX1 NFM 0.009055 0.4231
71 1X9I G6Q 0.005221 0.42109
72 4OWK NGA 0.01094 0.42074
73 2FJK 13P 0.00664 0.42047
74 2BDG PBZ 0.0117 0.42004
75 3IWD M2T 0.01272 0.41958
76 1VB3 KPA 0.01127 0.41825
77 1G8S MET 0.0143 0.41753
78 1XVB BBX 0.008136 0.41736
79 1GVF PGH 0.01182 0.41719
80 3L6R MLI 0.01538 0.41682
81 4L77 CNL 0.01064 0.4149
82 3EF2 FUC GLA GLA 0.01513 0.41472
83 2POC BG6 0.005881 0.41453
84 2OYS FMN 0.001927 0.41369
85 2OYS FMN 0.001927 0.41369
86 3IWD M2T 0.01445 0.41305
87 2O2C G6Q 0.005329 0.41255
88 4OWK NGA 0.01678 0.41242
89 4OWK NGA 0.01678 0.41242
90 1WQ1 AF3 0.0147 0.41237
91 2OG7 AHB 0.0163 0.41226
92 3HP9 CF1 0.0183 0.41216
93 4OWK NGA 0.01224 0.4121
94 1NME 159 0.01857 0.41168
95 1NME 159 0.01857 0.41168
96 1NME 159 0.01857 0.41168
97 1NME 159 0.01857 0.41168
98 1NME 159 0.01857 0.41168
99 1KNM LAT 0.01119 0.41167
100 1KOJ PAN 0.003176 0.40987
101 1NH8 AMP 0.01911 0.40968
102 2Z9C DTC 0.0004325 0.40928
103 1B57 PGH 0.01187 0.40827
104 2XBL M7P 0.006651 0.40822
105 3WMX THR 0.02687 0.40771
106 4C0X FMN 0.0005583 0.40732
107 2ANY BAM 0.02046 0.40721
108 4JBL MET 0.01882 0.40687
109 3QH2 3NM 0.01905 0.40659
110 3O8M GLC 0.0133 0.40586
111 3O8M BGC 0.0133 0.40586
112 4IF4 BEF 0.01296 0.40517
113 4IF4 BEF 0.01296 0.40517
114 2CXS F6P 0.003383 0.40477
115 2OQ5 BEN 0.02212 0.40472
116 3QPB R1P 0.01472 0.40374
117 2B3D FAD 0.001329 0.4034
118 3L6C MLI 0.01921 0.40283
119 4R81 FMN 0.006192 0.40245
120 4R81 FMN 0.006488 0.40157
121 1HGX 5GP 0.01979 0.40147
122 1RM8 BAT 0.0243 0.40117
123 3QPB R1P 0.0167 0.40107
124 3QPB R1P 0.01679 0.40096
125 3QDW NDG 0.02765 0.40076
126 2X1E X1E 0.03239 0.40033
Pocket No.: 2; Query (leader) PDB : 1AG9; Ligand: FMN; 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: 1ag9.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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