Receptor
PDB id Resolution Class Description Source Keywords
2Q9U 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE FLAVODIIRON PROTEIN FROM GIARDIA INTESTINALIS GIARDIA INTESTINALIS FLAVODOXIN LIKE BETA LACTAMASE LIKE OXIDOREDUCTASE
Ref.: THE O2-SCAVENGING FLAVODIIRON PROTEIN IN THE HUMAN PARASITE GIARDIA INTESTINALIS J.BIOL.CHEM. V. 283 4061 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6474_6475_ A:701;
Part of Protein;
none;
submit data n/a n/a n/a n/a
6476_ A:701;
Invalid;
none;
submit data n/a n/a n/a n/a
6516_6517_ B:701;
Part of Protein;
none;
submit data n/a n/a n/a n/a
6518_ B:701;
Invalid;
none;
submit data n/a n/a n/a n/a
FMN A:601;
B:601;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
NO3 A:501;
A:502;
A:503;
B:501;
B:502;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.005 N O3 [N+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Q9U 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE FLAVODIIRON PROTEIN FROM GIARDIA INTESTINALIS GIARDIA INTESTINALIS FLAVODOXIN LIKE BETA LACTAMASE LIKE OXIDOREDUCTASE
Ref.: THE O2-SCAVENGING FLAVODIIRON PROTEIN IN THE HUMAN PARASITE GIARDIA INTESTINALIS J.BIOL.CHEM. V. 283 4061 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2Q9U - 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 1068 families.
1 2Q9U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 2Q9U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5LMC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4D02 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2OHH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2OHJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2OHI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 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 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Q9U; Ligand: FMN; Similar sites found: 138
This union binding pocket(no: 1) in the query (biounit: 2q9u.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PTZ PAH 0.0002792 0.41671 1.20773
2 4FR3 LYS ARG ARG LYS SEP VAL 0.001094 0.45793 1.28205
3 3FJO FMN 0.0001286 0.47704 1.44928
4 3OND NAD 0.001263 0.44062 1.44928
5 3OND ADN 0.001263 0.44062 1.44928
6 2IXB A2G 0.005673 0.40719 1.44928
7 2IXB NAD 0.003683 0.40591 1.44928
8 1WDA BAG 0.007697 0.40109 1.44928
9 4O1M NAD 0.001902 0.41485 1.5873
10 3QV9 QV7 0.0004284 0.46481 1.69082
11 2NVK FAD 0.00319 0.41959 1.69082
12 3GE7 AFQ 0.005683 0.40159 1.81347
13 3ZPG 5GP 0.01874 0.41737 1.83246
14 1LVL NAD 0.001782 0.40288 1.93237
15 3WBF API 0.0006915 0.43481 1.96721
16 1KOL NAD 0.001577 0.42552 2.01005
17 2VHL GLP 0.02103 0.40016 2.0202
18 3P13 RIP 0.009981 0.42723 2.08333
19 4E28 9MZ 0.01277 0.40688 2.15385
20 3WE0 FAD 0.01008 0.40263 2.17391
21 1H6C NDP 0.005711 0.40603 2.30947
22 3E8N ATP 0.007202 0.40724 2.34604
23 3E8N VRA 0.007202 0.40724 2.34604
24 4N65 AQN 0.00001544 0.52813 2.35849
25 4N65 FMN 0.00003338 0.51892 2.35849
26 4IXW IXW 0.001486 0.42972 2.3622
27 3MPI GRA 0.01733 0.40072 2.51889
28 1Y42 TYR 0.009266 0.40257 2.55102
29 1D6H COA 0.008771 0.40492 2.58398
30 1RYD NDP 0.006884 0.40302 2.58398
31 1PEA ACM 0.0005055 0.48607 2.5974
32 2V7T SAH 0.002374 0.45305 2.67559
33 1Q0H FOM 0.004116 0.4192 2.70936
34 1Q0H NDP 0.004576 0.4192 2.70936
35 2RCN GDP 0.0001395 0.40878 3.07263
36 4OYA 1VE 0.02888 0.41135 3.1401
37 3OZG SSI 0.0001877 0.42254 3.2
38 3KO8 NAD 0.003078 0.41001 3.20513
39 4NTD FAD 0.006891 0.40405 3.23529
40 2H8Z FMN 0.0003434 0.43987 3.34262
41 2H8Z 8CM 0.0003434 0.43987 3.34262
42 2C31 ADP 0.01727 0.4102 3.38164
43 1H82 GZZ 0.01474 0.40757 3.38164
44 1H82 FAD 0.01699 0.40315 3.38164
45 4R81 FMN 0.00002636 0.50425 3.39806
46 2R14 FMN 0.002549 0.40596 3.44828
47 2R14 TXD 0.00367 0.40596 3.44828
48 1K27 MTM 0.005158 0.4019 3.53357
49 1C0I FAD 0.01114 0.40271 3.58127
50 1C0I BE2 0.01114 0.40271 3.58127
51 4P4T GDP 0.0005875 0.41507 3.61111
52 4PTZ FMN 0.000007726 0.51992 3.66492
53 1T0I FMN 0.001867 0.42483 3.66492
54 1YB5 NAP 0.0001338 0.46213 3.7037
55 2NCD ADP 0.0003352 0.46937 3.86473
56 1SS4 GSH 0.0001698 0.55673 3.92157
57 1SS4 CIT 0.003901 0.50426 3.92157
58 4C0X AQN 0.00002252 0.53012 3.94089
59 4C0X FMN 0.00001547 0.53012 3.94089
60 3HF3 FMN 0.001283 0.40962 4.01146
61 2FCR FMN 0.00004648 0.47917 4.04624
62 3F6R FMN 0.00007962 0.4772 4.05405
63 1TLL FMN 0.00024 0.47155 4.10628
64 3FSJ D7K 0.01515 0.41138 4.10628
65 1RYI GOA 0.003677 0.41922 4.18848
66 1RYI FAD 0.003611 0.41757 4.18848
67 1YS4 NAP 0.001708 0.40536 4.23729
68 2Q1S NAI 0.002547 0.42525 4.24403
69 1V7R CIT 0.04201 0.40616 4.30108
70 2HW1 ANP 0.001512 0.40531 4.36242
71 4NAT ADP 0.03416 0.40214 4.375
72 2Q37 3AL 0.0008127 0.45291 4.41989
73 1M5B BN1 0.01671 0.40343 4.56274
74 3GFS FMN 0.00001571 0.48556 4.5977
75 1RZM E4P 0.01982 0.40373 4.73373
76 1AKV FMN 0.00002449 0.51508 4.7619
77 3S2Y FMN 0.0002665 0.44771 4.83092
78 2NU8 COA 0.002067 0.40917 4.89691
79 1HDR NAD 0.008063 0.41058 4.91803
80 1BUC FAD 0.006957 0.40068 4.96084
81 1KYQ NAD 0.00115 0.40529 5.10949
82 3JSX FAD 0.0003803 0.46083 5.12821
83 2F2U M77 0.001932 0.4199 5.47264
84 1QRD FAD 0.00052 0.45679 5.49451
85 2YK7 CSF 0.0007786 0.41309 5.52147
86 4B2D FBP 0.002977 0.40533 5.55556
87 3SHR CMP 0.0005185 0.44205 5.68562
88 4BMO FMN 0.0003305 0.46911 5.88235
89 1V6A TRE 0.01324 0.40096 6.0241
90 1SQ5 ADP 0.001165 0.42322 6.49351
91 1SQ5 PAU 0.006575 0.40875 6.49351
92 2QV7 ADP 0.001322 0.41174 6.52819
93 3LZW FAD 0.003629 0.4144 6.62651
94 4DQ2 BTX 0.002255 0.4108 7.0122
95 4LTN NAI 0.0000033 0.55089 7.1066
96 4LTN FMN 0.000002749 0.54916 7.1066
97 1O9U ADZ 0.02675 0.40957 7.14286
98 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0009018 0.41849 7.23404
99 1LNX URI 0.009074 0.40294 7.40741
100 1R37 NAD 0.002462 0.41603 7.4928
101 4CS4 AXZ 0.009354 0.40386 7.66423
102 1L3I SAH 0.003668 0.4004 7.8125
103 1Z45 NAD 0.003354 0.40604 7.97101
104 1C1L GAL BGC 0.002371 0.44634 8.0292
105 3F81 STT 0.0002115 0.50418 8.19672
106 1NNU NAD 0.001747 0.45525 8.29694
107 1NNU TCT 0.001762 0.4551 8.29694
108 2Z9V PXM 0.002006 0.43011 8.41837
109 3S9K CIT 0.006301 0.44911 8.47458
110 1H2B NAJ 0.005562 0.40193 8.6351
111 3ZOD FMN 0.0004797 0.43148 8.90052
112 3ZOD HQE 0.0004797 0.43148 8.90052
113 3AHC TPP 0.0005766 0.43339 9.42029
114 1BVY FMN 0.0002029 0.47067 9.42408
115 1JA9 NDP 0.01207 0.41536 9.48905
116 2Z9C DTC 0.00000003945 0.57253 9.5
117 2Z9C FMN 0.00001801 0.5139 9.5
118 4N82 FMN 0.000217 0.45972 9.55056
119 4F8L GAL 0.01316 0.44151 9.65517
120 4H2D FMN 0.0001372 0.4735 9.69697
121 1B1C FMN 0.0001493 0.47193 9.94475
122 1T5B FMN 0.00003901 0.49694 9.95025
123 3PLN U5P 0.004905 0.41402 10.1449
124 3MAG 3MA 0.00004181 0.56324 11.0749
125 1R6D NAD 0.008514 0.41278 11.276
126 1QO0 BMD 0.001005 0.45593 11.7347
127 4M37 SAH 0.001367 0.40483 12.5364
128 3BY8 MLT 0.0009799 0.464 14.0845
129 3N39 FMN 0.002533 0.42658 14.3791
130 1AG9 FMN 0.00001027 0.52181 14.8571
131 4F4S EFO 0.004966 0.4138 15.7895
132 4HEQ FMN 0.00005338 0.4911 17.8082
133 4W6Z 8ID 0.0004294 0.4463 20.1729
134 1OBV FMN 0.00001003 0.52489 21.3018
135 1CZR FMN 0.00001174 0.51932 22.4852
136 5NUL FMN 0.0000000295 0.62037 25.3623
137 3KAP FMN 0.0001232 0.48008 34.6939
138 1E5D FMN 0.0000000001147 0.74913 49.5025
Pocket No.: 2; Query (leader) PDB : 2Q9U; 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: 2q9u.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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