Receptor
PDB id Resolution Class Description Source Keywords
2OHH 1.7 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF COENZYME F420H2 OXIDASE (FPRA), A DIIRO FLAVOPROTEIN, ACTIVE OXIDIZED STATE METHANOTHERMOBACTER THERMAUTOTROPHICUSORGANISM_TAXID: 145262 BETA-LACTAMASE LIKE DOMAIN FLAVODOXINE LIKE DOMAIN OXIDORE
Ref.: STRUCTURE OF COENZYME F420H2 OXIDASE (FPRA), A DI-I FLAVOPROTEIN FROM METHANOGENIC ARCHAEA CATALYZING T REDUCTION OF O2 TO H2O. FEBS J. V. 274 1588 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:501;
A:502;
B:1501;
B:1502;
D:2501;
D:2502;
E:3501;
E:3502;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
FMN A:701;
B:1701;
D:2701;
E:3701;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
SO4 D:2414;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OHH 1.7 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF COENZYME F420H2 OXIDASE (FPRA), A DIIRO FLAVOPROTEIN, ACTIVE OXIDIZED STATE METHANOTHERMOBACTER THERMAUTOTROPHICUSORGANISM_TAXID: 145262 BETA-LACTAMASE LIKE DOMAIN FLAVODOXINE LIKE DOMAIN OXIDORE
Ref.: STRUCTURE OF COENZYME F420H2 OXIDASE (FPRA), A DI-I FLAVOPROTEIN FROM METHANOGENIC ARCHAEA CATALYZING T REDUCTION OF O2 TO H2O. FEBS J. V. 274 1588 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2OHH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2OHJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 2OHI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 2OHH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2OHJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 2OHI - 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 : 2OHH; Ligand: FMN; 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: 2ohh.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2OHH; Ligand: FMN; Similar sites found: 78
This union binding pocket(no: 2) in the query (biounit: 2ohh.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2RDK MAN MAN 0.02746 0.40334 None
2 5FA6 NAP 0.000495 0.49344 1.73267
3 5FA6 FAD 0.000479 0.49344 1.73267
4 5FA6 FMN 0.000479 0.49344 1.73267
5 1GOJ ADP 0.02061 0.4102 1.97183
6 4WZ6 ATP 0.0173 0.41673 2.06897
7 3MBI HSX 0.02102 0.40516 2.09059
8 3FJO FMN 0.00003681 0.47725 2.22772
9 5TP0 BRN 0.0316 0.4018 2.23214
10 4KCT FDP 0.006734 0.42124 2.40481
11 1H82 GZZ 0.02597 0.40559 2.47525
12 2AWN ADP 0.01441 0.41124 2.62467
13 5H6S HDH 0.006207 0.44081 2.72277
14 1B09 PC 0.02889 0.40157 2.91262
15 3BFV ADP 0.01519 0.40816 2.95203
16 3NHB ADP 0.0193 0.4141 3.26797
17 2B3D FAD 0.0005679 0.42895 3.43137
18 5GXU FMN 0.0001228 0.45187 3.46535
19 1TLL FMN 0.0005856 0.44231 3.46535
20 4OWK NGA 0.004528 0.45351 3.62319
21 4PTZ FMN 0.000003047 0.55902 3.66492
22 4R2I ANP 0.01035 0.42537 3.80952
23 4JBL MET 0.02118 0.40922 3.83481
24 2Z9C FMN 0.00001076 0.49945 4
25 3SVL FMN 0.0003839 0.42672 4.14508
26 3LRE ADP 0.01702 0.41547 4.22535
27 5CMK LY5 0.01072 0.40773 4.2471
28 3R4S SLB 0.01953 0.41421 4.45545
29 4H2D FMN 0.0001083 0.48466 4.70297
30 4X1B MLI 0.02801 0.41344 4.70297
31 1KEW NAD 0.02248 0.40311 4.70914
32 1QRD FAD 0.001389 0.4192 4.7619
33 1T5B FMN 0.0000501 0.4697 4.97512
34 4LTN NAI 0.000005752 0.52294 5.07614
35 4LTN FMN 0.000003824 0.51703 5.07614
36 4PPF FLC 0.003026 0.4587 5.14286
37 3L9W FMN 0.0003256 0.47343 5.69307
38 1LOJ URI 0.0173 0.41248 5.74713
39 2F5X ASP 0.02244 0.40791 5.76923
40 1RYO OXL 0.02301 0.4174 5.8104
41 1CZR FMN 0.00002197 0.47965 5.91716
42 2W58 ADP 0.02521 0.40388 5.94059
43 5FUI APY 0.006656 0.4163 6.06061
44 1G6H ADP 0.00525 0.44774 6.22568
45 2FCR FMN 0.00003342 0.45809 6.35838
46 1T9D P22 0.02652 0.40413 6.43564
47 1BO4 COA 0.02162 0.4006 6.54762
48 5J6Y BGC 0.01606 0.41935 6.91489
49 5J6Y GLC 0.01606 0.41935 6.91489
50 3P13 RIP 0.02557 0.40237 6.94444
51 3JSX CC2 0.004013 0.45044 7.32601
52 3JSX FAD 0.0006816 0.4377 7.32601
53 2XOD FMN 0.000007661 0.50538 7.56302
54 5TCI MLI 0.01574 0.41962 8.66337
55 4BMO FMN 0.00000509 0.53197 8.69565
56 5E5U MLI 0.005865 0.42269 8.71212
57 1BVY FMN 0.0000394 0.48292 9.42408
58 2CBZ ATP 0.02551 0.40775 9.70464
59 3B5J 12D 0.02084 0.40958 10.2881
60 1B1C FMN 0.0002244 0.47083 10.4972
61 1JJ7 ADP 0.008873 0.43344 11.1538
62 1RLJ FMN 0.00001705 0.47797 11.5108
63 1L5Y BEF 0.01068 0.41486 11.6129
64 5LJI FMN 0.0000003373 0.60958 12.1622
65 3N39 FMN 0.0002314 0.45897 13.7255
66 2OYS FMN 0.0002039 0.45425 14.876
67 4N65 AQN 0.000005395 0.53092 15.0943
68 4N65 FMN 0.000007691 0.5305 15.0943
69 1G8S MET 0.007479 0.43247 15.2174
70 2WC1 FMN 0.00001545 0.5216 17.5824
71 1OBV FMN 0.000002843 0.54737 17.7515
72 1AG9 FMN 0.00001093 0.49133 19.4286
73 1AKV FMN 0.000003525 0.53409 22.449
74 4OXX FMN 0.0000927 0.48761 22.8395
75 3GFS FMN 0.00004744 0.52412 27.5862
76 4C0X AQN 0.00002297 0.51388 28.5714
77 4C0X FMN 0.00001868 0.51038 28.5714
78 5NUL FMN 0.000000003954 0.68785 48.5507
Pocket No.: 3; Query (leader) PDB : 2OHH; Ligand: FMN; 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: 2ohh.bio3) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2OHH; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2ohh.bio3) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2OHH; Ligand: FMN; 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: 2ohh.bio3) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2OHH; Ligand: FMN; Similar sites found: 6
This union binding pocket(no: 6) in the query (biounit: 2ohh.bio3) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LUB 3Y7 0.03093 0.40027 2.67176
2 3AJ6 NGA 0.03071 0.40539 3.14685
3 2VHL GLP 0.003351 0.44213 3.53535
4 5GWE GWM 0.01354 0.4164 4.45545
5 3FGZ BEF 0.01819 0.4008 4.6875
6 5IXJ THR 0.008257 0.40044 8.33333
Pocket No.: 7; Query (leader) PDB : 2OHH; Ligand: FMN; 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: 2ohh.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2OHH; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2ohh.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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