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Receptor
PDB id Resolution Class Description Source Keywords
1CZR 1.9 Å NON-ENZYME: TRANSPORT COMPARISONS OF WILD TYPE AND MUTANT FLAVODOXINS FROM ANACYST NIDULANS. STRUCTURAL DETERMINANTS OF THE REDOX POTENTIALS. SYNECHOCOCCUS ELONGATUS FLAVODOXIN REDOX POTENTIAL FMN BINDING ELECTRON TRANSPORT
Ref.: COMPARISONS OF WILD-TYPE AND MUTANT FLAVODOXINS FRO ANACYSTIS NIDULANS. STRUCTURAL DETERMINANTS OF THE POTENTIALS. J.MOL.BIOL. V. 294 725 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:170;
Valid;
none;
Kd = 1 nM
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CZR 1.9 Å NON-ENZYME: TRANSPORT COMPARISONS OF WILD TYPE AND MUTANT FLAVODOXINS FROM ANACYST NIDULANS. STRUCTURAL DETERMINANTS OF THE REDOX POTENTIALS. SYNECHOCOCCUS ELONGATUS FLAVODOXIN REDOX POTENTIAL FMN BINDING ELECTRON TRANSPORT
Ref.: COMPARISONS OF WILD-TYPE AND MUTANT FLAVODOXINS FRO ANACYSTIS NIDULANS. STRUCTURAL DETERMINANTS OF THE POTENTIALS. J.MOL.BIOL. V. 294 725 1999
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1CZK Kd = 1.5 nM 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 1CZL Kd = 1.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1CZH Kd = 3.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 1CZO Kd = 0.35 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 3ESY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1OBV Kd = 1.04 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1RCF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2V5V Kd = 4.8 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1OBO Kd = 6.72 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 3ESX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 3ESZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2V5U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 5LJP Ka = 83000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 1D04 Kd = 0.38 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1CZL Kd = 1.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1CZH Kd = 3.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1CZO Kd = 0.35 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2WC1 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3ESY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1OBV Kd = 1.04 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1RCF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2V5V Kd = 4.8 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1OBO Kd = 6.72 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 3ESX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 3ESZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2V5U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 5LJP Ka = 83000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 2FCR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1YOB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 5K9B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1D04 Kd = 0.38 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 1CZL Kd = 1.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 1CZH Kd = 3.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 1CZO Kd = 0.35 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 2BMV - BEN C7 H8 N2 [H]/N=C(c1....
26 1FUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 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 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
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 : 1CZR; Ligand: FMN; Similar sites found with APoc: 153
This union binding pocket(no: 1) in the query (biounit: 1czr.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2FJK 13P None
2 4PTZ FMN None
3 1Z0N BCD None
4 1KNM LAT None
5 2OYS FMN None
6 1XXA ARG None
7 5C2N NAG None
8 1X9I G6Q 1.18343
9 3GUZ PAF 1.77515
10 4OWK NGA 2.17391
11 4N82 FMN 2.36686
12 5MJI 7O6 2.36686
13 3QH2 3NM 2.36686
14 1L3I SAH 2.36686
15 3S2Y FMN 2.36686
16 4JLS 3ZE 2.63158
17 5DQY BEZ 2.85714
18 4TQK NAG 2.95858
19 6AM8 PLT 2.95858
20 3N9R TD3 2.95858
21 3ITJ CIT 2.95858
22 2O2C G6Q 2.95858
23 6AM8 TRP 2.95858
24 1G8S MET 2.95858
25 3N29 GOL 2.95858
26 6CUZ FEV 2.95858
27 1LDN NAD 2.95858
28 1T57 FMN 2.95858
29 6AMI TRP 2.95858
30 4UP4 NAG 3.5503
31 4UP4 NDG 3.5503
32 4UP4 GAL NAG 3.5503
33 3WMX THR 3.5503
34 4KCT FDP 3.5503
35 2WZF BGC 3.5503
36 2CXS F6P 3.5503
37 5E5U MLT 3.5503
38 4CP8 MLI 3.5503
39 3QPB R1P 3.5503
40 4R81 FMN 3.5503
41 3L6R MLI 3.5503
42 4WOH 4NP 3.61446
43 1BVY FMN 4.14201
44 3HQP FDP 4.14201
45 4B2D FBP 4.14201
46 2P4Y C03 4.14201
47 1UTJ ABN 4.14201
48 1PZG A3D 4.14201
49 2FH5 GTP 4.14201
50 2B3D FAD 4.14201
51 1RLJ FMN 4.31655
52 3LN9 FLC 4.31655
53 3GFS FMN 4.73373
54 5TP0 BRN 4.73373
55 3LTW HLZ 4.73373
56 4IP7 FBP 4.73373
57 5GVR LMR 4.73373
58 1RM8 BAT 4.73373
59 4P83 U5P 4.73373
60 1WQ1 AF3 4.81928
61 2O66 FLC 5.18518
62 6FRN FMN 5.32544
63 5LMC FMN 5.32544
64 4PLG OXM 5.32544
65 4PLG NAI 5.32544
66 1SOW NAD 5.32544
67 3AJ6 NGA 5.32544
68 3L6C MLI 5.32544
69 2X8S AHR AHR AHR 5.32544
70 6B74 BEN 5.32544
71 5OVK NDP 5.32544
72 3QDW NDG 5.59441
73 3N39 FMN 5.88235
74 2OHH FMN 5.91716
75 3A23 GAL 5.91716
76 5O4J 9KH 5.91716
77 5O4J SAH 5.91716
78 5O4J PJL 5.91716
79 4LHW GNP 5.91716
80 1KEW TYD 5.91716
81 1HGX 5GP 5.91716
82 4X1B MLI 5.91716
83 3VC3 C6P 5.91716
84 6BCA GSP 5.91716
85 1BO4 COA 5.95238
86 2POC BG6 6.50888
87 3T5M AMP 6.50888
88 5XK9 DMA 6.50888
89 5D85 P1T 6.50888
90 2OQ5 BEN 7.10059
91 3I7S PYR 7.10059
92 4LTN FMN 7.69231
93 4LTN NAI 7.69231
94 1VB3 KPA 7.69231
95 1FEC FAD 7.69231
96 5D63 FUC GLA GLA 7.69231
97 4N65 FMN 8.28402
98 4N65 AQN 8.28402
99 1NV8 SAM 8.28402
100 1TLL FMN 8.87574
101 4BMO FMN 8.87574
102 1T0I FMN 8.87574
103 3GDN MXN 8.87574
104 5HV7 RBL 9.46746
105 4PPF FLC 9.46746
106 4M51 BEZ 9.46746
107 4H2D FMN 9.69697
108 4ZGR NGA GAL 9.96169
109 5GXU FMN 10.0592
110 1T26 GBD 10.0592
111 1T26 NAI 10.0592
112 6BYF CIT 10.6509
113 1TL2 NDG 10.6509
114 1E5D FMN 11.2426
115 1T5B FMN 11.2426
116 4LO2 GAL BGC 11.2426
117 1V7C HEY 11.2426
118 2Z9C FMN 11.8343
119 2Z9C DTC 11.8343
120 5WS9 AMP 11.8343
121 3R4S SLB 11.8343
122 5DNC ASN 11.8343
123 4G9N NGA 11.8881
124 4YQE FMN 12.426
125 4YQE PLQ 12.426
126 3HP9 CF1 12.426
127 1LYX PGA 12.426
128 4C0X AQN 13.6095
129 4C0X FMN 13.6095
130 1T0S BML 13.6095
131 1WD4 AHR 13.6095
132 2WPF FAD 15.3846
133 1CX9 NHP 15.3846
134 5XHA FRU 15.3846
135 2OG7 AHB 15.9763
136 1GUZ NAD 15.9763
137 3KO0 TFP 16.8317
138 1A0J BEN 17.7515
139 6EBQ FMN 21.875
140 2Q9U FMN 22.4852
141 4R8L ASP 23.6686
142 5VEG FMN 24.8521
143 1KOJ PAN 25.4438
144 4OXX FMN 29.6296
145 5LJI FMN 35.8108
146 3FJO FMN 37.2781
147 1B1C FMN 37.8698
148 5FA6 FAD 37.8698
149 5FA6 FMN 37.8698
150 5FA6 NAP 37.8698
151 4HEQ FMN 45.2055
152 6FSG FMN 45.5782
153 6GAQ FMN 46.1039
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