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Receptor
PDB id Resolution Class Description Source Keywords
2FCR 1.8 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF OXIDIZED FLAVODOXIN FROM A RED ALGA CHONDRUS CRISPUS REFINED AT 1.8 ANGSTROMS RESOLUTION: D ESCRIPTION OF THE FLAVIN MONONUCLEOTIDE BINDING SITE CHONDRUS CRISPUS ELECTRON TRANSPORT
Ref.: CRYSTAL STRUCTURE OF OXIDIZED FLAVODOXIN FROM A RED ALGA CHONDRUS CRISPUS REFINED AT 1.8 A RESOLUTION. DESCRIPTION OF THE FLAVIN MONONUCLEOTIDE BINDING SITE J.MOL.BIOL. V. 225 775 1992
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:174;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FCR 1.8 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF OXIDIZED FLAVODOXIN FROM A RED ALGA CHONDRUS CRISPUS REFINED AT 1.8 ANGSTROMS RESOLUTION: D ESCRIPTION OF THE FLAVIN MONONUCLEOTIDE BINDING SITE CHONDRUS CRISPUS ELECTRON TRANSPORT
Ref.: CRYSTAL STRUCTURE OF OXIDIZED FLAVODOXIN FROM A RED ALGA CHONDRUS CRISPUS REFINED AT 1.8 A RESOLUTION. DESCRIPTION OF THE FLAVIN MONONUCLEOTIDE BINDING SITE J.MOL.BIOL. V. 225 775 1992
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2FCR - 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 175 families.
1 2FCR - 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 : 2FCR; Ligand: FMN; Similar sites found with APoc: 137
This union binding pocket(no: 1) in the query (biounit: 2fcr.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4OWK NGA None
2 4N65 AQN None
3 4N65 FMN None
4 4WOH 4NP None
5 3L6C MLI 1.15607
6 2OYS FMN 1.7341
7 1M2W NAD 1.7341
8 1LJ8 NAD 1.7341
9 5AHO TLA 1.7341
10 3LN9 FLC 2.15827
11 4LTN NAI 2.31214
12 4KCT FDP 2.31214
13 1T57 FMN 2.31214
14 3EF0 ALF 2.31214
15 4R2I ANP 2.31214
16 4LTN FMN 2.31214
17 4R81 FMN 2.31214
18 1T0I FMN 2.89017
19 1V7C HEY 2.89017
20 6AA8 NAD 2.89017
21 2HJR APR 2.89017
22 2Z9C FMN 3.46821
23 2Z9C DTC 3.46821
24 3PC3 P1T 3.46821
25 3L6R MLI 3.46821
26 1H74 ILE 3.46821
27 4QYS PLP SEP 3.46821
28 2PWY SAH 3.46821
29 5GVR LMR 3.46821
30 3LTW HLZ 3.46821
31 4BWL MN9 3.46821
32 1BG2 ADP 3.46821
33 1ZGS XMM 3.46821
34 1TLL FMN 3.48837
35 4RDN 6MD 3.59281
36 4N82 FMN 4.04624
37 2Q9U FMN 4.04624
38 5MJI 7O6 4.04624
39 3KDM TES 4.04624
40 3ESS 18N 4.04624
41 1V35 NAI 4.04624
42 4P83 U5P 4.04624
43 1IXE CIT 4.62428
44 1D6S PLP MET 4.62428
45 1D6S MET PLP 4.62428
46 1JG3 ADN 4.62428
47 2CXS F6P 4.62428
48 5ZA2 NXL 4.62428
49 1X9I G6Q 4.62428
50 3N29 GOL 4.62428
51 4G9N NGA 4.8951
52 6C2Z P1T 5.20231
53 1GV0 NAD 5.20231
54 5HV7 RBL 5.78035
55 3GDN MXN 5.78035
56 4TQK NAG 5.78035
57 2OG7 AHB 5.78035
58 3X44 PUS 5.78035
59 1GUZ NAD 5.78035
60 2OHH FMN 6.35838
61 5WS9 AMP 6.35838
62 3VC3 C6P 6.35838
63 5B3A 0JO 6.35838
64 5X2N ALA 6.35838
65 2AWN ADP 6.35838
66 6BYF CIT 6.47059
67 4U8P UDP 6.93642
68 1C3X 8IG 6.93642
69 4U8P FDA 6.93642
70 1E5D FMN 7.51445
71 4YQE PLQ 7.51445
72 4YQE FMN 7.51445
73 2HIM ASN 7.51445
74 2Y65 ADP 7.51445
75 4BMO FMN 8.09249
76 4LY9 1YY 8.09249
77 4LY9 S6P 8.09249
78 5LMC FMN 8.67052
79 3GFS FMN 8.67052
80 1KOJ PAN 8.67052
81 4CP8 MLI 9.24856
82 5LV1 78T 9.24856
83 2J0W ASP 9.24856
84 2DUR MAN MAN 9.82659
85 4X1B MLI 9.82659
86 1GS5 ANP 9.82659
87 1GS5 NLG 9.82659
88 6FRN FMN 10.4046
89 4IP7 FBP 10.4046
90 5YU3 NAD 10.4046
91 5YU3 PRO 10.4046
92 4UP4 GAL NAG 10.9827
93 4UP4 NDG 10.9827
94 3HQP FDP 10.9827
95 4AMV F6R 10.9827
96 4GYS MLI 11.5607
97 1BVY FMN 12.1387
98 4PPF FLC 12.1387
99 5D85 P1T 12.1387
100 1CX9 NHP 12.7168
101 4C0X AQN 12.8079
102 4C0X FMN 12.8079
103 1T5B FMN 13.4328
104 4DE2 DN3 13.8728
105 2O2C G6Q 13.8728
106 2IMG MLT 13.9073
107 4PTZ FMN 14.4509
108 2FJK 13P 14.4509
109 4LO2 GAL BGC 14.966
110 6AM8 PLT 15.0289
111 6AMI TRP 15.0289
112 6AM8 TRP 15.0289
113 2B3D FAD 15.6069
114 6CUZ FEV 15.6069
115 1MI3 NAD 15.6069
116 2E5V FAD 15.6069
117 1RLJ FMN 15.8273
118 3N39 FMN 16.763
119 4JLS 3ZE 17.1053
120 6EBQ FMN 18.125
121 2POC BG6 18.4971
122 4B2D FBP 20.2312
123 1B1C FMN 26.0116
124 3FJO FMN 26.0116
125 5FA6 FMN 27.1676
126 5FA6 FAD 27.1676
127 5FA6 NAP 27.1676
128 4H2D FMN 29.697
129 5VEG FMN 30.6358
130 5GXU FMN 32.3699
131 4OXX FMN 33.3333
132 5LJI FMN 35.8108
133 3F6R FMN 36.4865
134 3KAP FMN 39.4558
135 4HEQ FMN 41.0959
136 6GAQ FMN 41.5584
137 6FSG FMN 45.5782
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