Receptor
PDB id Resolution Class Description Source Keywords
2A1X 2.5 Å EC: 1.14.11.18 HUMAN PHYTANOYL-COA 2-HYDROXYLASE IN COMPLEX WITH IRON AND 2 OXOGLUTARATE HOMO SAPIENS BETA JELLY ROLL DOUBLE-STRANDED BETA-HELIX STRUCTURAL GENOSTRUCTURAL GENOMICS CONSORTIUM SGC OXIDOREDUCTASE
Ref.: STRUCTURE OF HUMAN PHYTANOYL-COA 2-HYDROXYLASE IDEN MOLECULAR MECHANISMS OF REFSUM DISEASE J.BIOL.CHEM. V. 280 41101 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:451;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
FE2 A:450;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2A1X 2.5 Å EC: 1.14.11.18 HUMAN PHYTANOYL-COA 2-HYDROXYLASE IN COMPLEX WITH IRON AND 2 OXOGLUTARATE HOMO SAPIENS BETA JELLY ROLL DOUBLE-STRANDED BETA-HELIX STRUCTURAL GENOSTRUCTURAL GENOMICS CONSORTIUM SGC OXIDOREDUCTASE
Ref.: STRUCTURE OF HUMAN PHYTANOYL-COA 2-HYDROXYLASE IDEN MOLECULAR MECHANISMS OF REFSUM DISEASE J.BIOL.CHEM. V. 280 41101 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2A1X - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2A1X - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2A1X - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2A1X; Ligand: AKG; Similar sites found: 57
This union binding pocket(no: 1) in the query (biounit: 2a1x.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2OG7 SIN 0.00006723 0.48368 1.62338
2 3W21 AKG 0.0009914 0.42588 2.1978
3 5LUN OGA 0.00000181 0.50745 2.27273
4 5F3I 5UJ 0.01802 0.42545 2.27273
5 5L9V OGA 0.0000027 0.47478 2.38095
6 2JIG PD2 0.00003102 0.5346 2.67857
7 3PUA OGA 0.00006784 0.46106 2.92208
8 1TB3 FMN 0.02985 0.40066 2.92208
9 1OIJ AKG 0.000001575 0.59117 2.99003
10 1OIK AKG 0.00002373 0.49565 2.99003
11 5HV0 AKG 0.0001791 0.40067 3.22581
12 4LIT AKG 0.003169 0.4064 3.24675
13 3KV5 OGA 0.0003455 0.45302 3.57143
14 4J25 OGA 0.000005877 0.5036 3.8961
15 5C5T AKG 0.00003351 0.45021 3.94737
16 4OJ8 AKG 0.000001374 0.42612 4.09556
17 5L9B AKG 0.000002886 0.4739 4.36508
18 4BQY FNT 0.0000005756 0.4389 4.36508
19 1NX4 AKG 0.000008189 0.4967 4.3956
20 3HQR OGA 0.000000778 0.48151 4.47154
21 4NAO AKG 0.000001405 0.55641 4.54545
22 3N9Q OGA 0.0004443 0.43986 4.54545
23 3N9O OGA 0.0005027 0.43745 4.54545
24 3N9P OGA 0.0006054 0.43371 4.54545
25 3PUR 2HG 0.0007551 0.4197 4.54545
26 5V1B 8UY 0.0001964 0.43252 4.58333
27 1GP6 QUE 0.00001348 0.58184 4.87013
28 1GP6 SIN 0.00001241 0.58184 4.87013
29 4M26 AKG 0.000143 0.44691 4.87013
30 4JZR 4JR 0.0001217 0.42852 5.09259
31 5UQD AKG 0.0003075 0.4467 5.19481
32 4HXY ACA 0.01003 0.40428 5.19481
33 4NPL AKG 0.0001583 0.44609 5.2
34 3KV4 OGA 0.0004439 0.42871 5.51948
35 2XUM OGA 0.002157 0.40759 5.84416
36 1H2K OGA 0.002695 0.40314 5.84416
37 1H2M OGA 0.002847 0.40207 5.84416
38 3AVR OGA 0.001671 0.4069 6.02637
39 4RFR RHN 0.00004128 0.40027 6.40394
40 2IUW AKG 0.0000659 0.43994 6.72269
41 4QM9 CYS 0.0007946 0.41829 6.93642
42 5I8T LAC 0.0005446 0.41614 7.82123
43 4XCB AKG 0.00002749 0.46419 8.42912
44 4OCT AKG 0.00009314 0.42742 9.00901
45 5C3R HMU 0.000002309 0.4392 10.3896
46 5C3R AKG 0.000002309 0.4392 10.3896
47 4UF0 MMK 0.006294 0.42895 10.3896
48 1LRH NLA 0.00967 0.40151 11.0429
49 4P7X AKG 0.00005366 0.53659 11.6438
50 4P7X YCP 0.00005366 0.40049 11.6438
51 4Q0L V14 0.004309 0.44956 11.7871
52 5M0T AKG 0.0001509 0.45466 17.0068
53 3NNF AKG 0.00002168 0.53657 20.1299
54 4QXB OGA 0.0004796 0.48066 33.3333
55 2FCU AKG 0.00002975 0.47529 33.4416
56 5EPA AKG 0.0000005667 0.52591 33.6918
57 4XAC AKG 0.0000003313 0.55266 37.6984
Feedback