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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 318 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 (5)
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....
4 6FRN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 6FRM - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 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 1E5D - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2OHH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2OHJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 2OHI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 6FRN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 6FRM - 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 : 2OHH; Ligand: FMN; Similar sites found with APoc: 127
This union binding pocket(no: 1) in the query (biounit: 2ohh.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 6FX2 FUC C4W NAG BMA MAN NAG GAL None
3 2RDK MAN MAN None
4 4WOH 4NP 1.20482
5 3A23 GAL 1.23762
6 1FDJ 13P 1.37741
7 1FDJ 2FP 1.37741
8 1F9V ADP 1.72911
9 5FA6 FMN 1.73267
10 5FA6 FAD 1.73267
11 5FA6 NAP 1.73267
12 3HQP FDP 1.73267
13 1A0J BEN 1.79372
14 2FJK 13P 1.96721
15 1IZC PYR 2.0649
16 3MBI HSX 2.09059
17 5IVE 6E8 2.12121
18 3FJO FMN 2.22772
19 4CP8 MLI 2.22772
20 3U7Q HCA 2.22772
21 4IP7 FBP 2.22772
22 5TP0 BRN 2.23214
23 4KCT FDP 2.40481
24 1IWE IMP 2.47525
25 1SO0 GAL 2.61628
26 1C3X 8IG 2.63158
27 1UJ5 5RP 2.64317
28 5H6S HDH 2.72277
29 5L2R MLA 2.72277
30 5IDB BMA 2.8169
31 5IDB MAN 2.8169
32 1B09 PC 2.91262
33 5EXK MET 3.02115
34 3AJ6 NGA 3.14685
35 2B3D FAD 3.43137
36 1WD4 AHR 3.46535
37 5GXU FMN 3.46535
38 1TLL FMN 3.46535
39 2VHL GLP 3.53535
40 4OWK NGA 3.62319
41 3HP8 SUC 3.63636
42 4PTZ FMN 3.66492
43 4KFU ACP 3.77358
44 2Z48 NGA 3.9604
45 2Z9C DTC 4
46 2Z9C FMN 4
47 4XTX 590 4.07407
48 5AHN IMP 4.08998
49 3SVL FMN 4.14508
50 4UP4 NDG 4.2394
51 5BSH PRO 4.33213
52 2D2F ADP 4.4
53 3R4S SLB 4.45545
54 5MJI 7O6 4.66926
55 4H2D FMN 4.70297
56 4X1B MLI 4.70297
57 1KEW NAD 4.70914
58 1L7N ALF 4.73934
59 1QRD FAD 4.7619
60 1T5B FMN 4.97512
61 4LTN NAI 5.07614
62 4LTN FMN 5.07614
63 4PPF FLC 5.14286
64 4B2D FBP 5.19802
65 6B8O PSF 5.32544
66 2ZQO NGA 5.38462
67 6EV2 BGC 5.52995
68 5A04 BGC 5.60472
69 3L9W FMN 5.69307
70 1LOJ URI 5.74713
71 1RYO OXL 5.8104
72 6BYF CIT 5.88235
73 1CZR FMN 5.91716
74 5FUI APY 6.06061
75 3UXH UXH 6.08696
76 3UXH FAD 6.08696
77 2FCR FMN 6.35838
78 1T9D P22 6.43564
79 6GAQ FMN 6.49351
80 3ZXE PGZ 6.76692
81 5J6Y BGC 6.91489
82 5J6Y GLC 6.91489
83 3CB0 FMN 6.93642
84 3JSX CC2 7.32601
85 3JSX FAD 7.32601
86 6BR7 BEF 7.5188
87 1QH9 LAC 7.75862
88 3LN9 FLC 7.91367
89 3AKI AH8 7.92079
90 4WCX MET 7.92079
91 5X2N ALA 8
92 5TCI MLI 8.66337
93 4BMO FMN 8.69565
94 1BVY FMN 9.42408
95 1B1C FMN 10.4972
96 3GXW SIN 10.6796
97 1RLJ FMN 11.5108
98 1L5Y BEF 11.6129
99 5W1E PHB 12.1287
100 5LJI FMN 12.1622
101 4IF4 BEF 12.5
102 1ZHS NAG NAG BMA MAN MAN 13.2743
103 3N39 FMN 13.7255
104 4KJU 1RH 13.9535
105 3DC4 ADP 13.9535
106 2OYS FMN 14.876
107 1VKF CIT 14.8936
108 4N65 AQN 15.0943
109 4N65 FMN 15.0943
110 1G8S MET 15.2174
111 4G9N NGA 16.0839
112 2NLQ GLY 16.6667
113 6EBQ FMN 16.875
114 2WC1 FMN 17.5824
115 3IWD M2T 17.7419
116 1OBV FMN 17.7515
117 1AG9 FMN 19.4286
118 1AKV FMN 22.449
119 4OXX FMN 22.8395
120 4YQE PLQ 24.8731
121 4YQE FMN 24.8731
122 5VEG FMN 26.4045
123 3GFS FMN 27.5862
124 4C0X AQN 28.5714
125 4C0X FMN 28.5714
126 6FSG FMN 42.8571
127 5NUL FMN 48.5507
Pocket No.: 2; Query (leader) PDB : 2OHH; Ligand: FMN; Similar sites found with APoc: 60
This union binding pocket(no: 2) in the query (biounit: 2ohh.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 6MJ7 ARG None
2 1GOJ ADP 1.97183
3 4WZ6 ATP 2.06897
4 2Y65 ADP 2.19178
5 5HV7 RBL 2.22772
6 1H82 GZZ 2.47525
7 1H82 FAD 2.47525
8 1CX9 NHP 2.61194
9 2PZE ATP 2.62009
10 2AWN ADP 2.62467
11 5YV5 ADP 2.72277
12 1YQT ADP 2.72277
13 3AI8 HNQ 2.73438
14 2VVG ADP 2.85714
15 3BFV ADP 2.95203
16 2F7C CCU 3.00429
17 1ESW ACR 3.21782
18 3ITJ CIT 3.25444
19 3NHB ADP 3.26797
20 1BG2 ADP 3.38462
21 3RC3 ANP 3.46535
22 4YJ1 ADP 3.46535
23 3Q72 GNP 3.61446
24 1T5C ADP 3.72493
25 4R2I ANP 3.80952
26 4JBL MET 3.83481
27 2OG2 MLI 4.17827
28 3LRE ADP 4.22535
29 5CMK LY5 4.2471
30 1USI PHE 4.33526
31 4U00 ADP 4.5082
32 5NM7 GLY 4.51128
33 6A20 ADP 4.70297
34 2F5X ASP 5.76923
35 2W58 ADP 5.94059
36 2IMG MLT 5.96026
37 1G6H ADP 6.22568
38 5XK9 GST 6.46552
39 1BO4 COA 6.54762
40 3P13 RIP 6.94444
41 3F8D FAD 7.43034
42 5HRA DAS 7.65957
43 3L6C MLI 7.66962
44 4YMU ATP 7.72727
45 2KIN ADP 8
46 1RRC ADP 8.63787
47 3B8I OXL 8.7108
48 5E5U MLI 8.71212
49 1XP8 AGS 8.74317
50 1S8F GDP 9.60452
51 2CBZ ATP 9.70464
52 3B5J 12D 10.2881
53 1JJ7 ADP 11.1538
54 3GD8 GOL 11.2108
55 6BSX E7S 11.7978
56 2F9W PAU 11.8081
57 3V0H I3P 12.0944
58 3QMN A3P 12.4031
59 4JLS 3ZE 19.7368
60 3AB4 THR 25.8427
Pocket No.: 3; Query (leader) PDB : 2OHH; Ligand: FMN; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2OHH; Ligand: FMN; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2OHH; Ligand: FMN; Similar sites found with APoc: 9
This union binding pocket(no: 5) in the query (biounit: 2ohh.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1U4L H1S None
2 5MB4 NDG 2.49377
3 2UWN SCR 2.6738
4 4TQK NAG 2.9703
5 5GWE GWM 4.45545
6 3FGZ BEF 4.6875
7 5N9X THR 6.43564
8 6B9T 2HE 6.43564
9 1MFI FHC 12.2807
Pocket No.: 6; Query (leader) PDB : 2OHH; Ligand: FMN; Similar sites found with APoc: 23
This union binding pocket(no: 6) in the query (biounit: 2ohh.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5G3L SIA None
2 1FUR MLT 1.48515
3 5LUB 3Y7 2.67176
4 1Q19 SSC 2.72277
5 1YFS ALA 2.72277
6 5TSH ADP 3.21782
7 4GYS MLI 3.21782
8 2P39 SCR 4.51613
9 1XX6 ADP 4.71204
10 3MD0 GDP 5.07042
11 5X7Q GLC GLC GLC 5.94059
12 5X7Q GLC GLC GLC GLC 5.94059
13 2XI7 XI7 6.52174
14 4CS9 AMP 6.87831
15 3IO3 ADP 7.47126
16 5G6U TRP 8.04598
17 6AM8 TRP 8.58586
18 6AMI TRP 8.58586
19 3L6R MLI 8.67052
20 2CJW GDP 8.85417
21 6C0B MLI 9.61539
22 2HT6 GDP 9.77011
23 4CQM NAP 9.83607
Pocket No.: 7; Query (leader) PDB : 2OHH; Ligand: FMN; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2OHH; Ligand: FMN; Similar sites found with APoc: 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 Sequence Similarity
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