Structure of PDB 6fr2 Chain A

Receptor sequence
>6fr2A (length=319) Species: 9606 (Homo sapiens) [Search protein sequence]
PTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQI
PALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQ
AVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKAN
PVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGL
FVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACK
SLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQM
DKPTEVNQILIKWLDSDAR
3D structure
PDB6fr2 Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
ChainA
Resolution2.262 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) F267 D335 W336 D496 H524
Catalytic site (residue number reindexed from 1) F39 D107 W108 D268 H296
Enzyme Commision number 3.1.3.76: lipid-phosphate phosphatase.
3.3.2.10: soluble epoxide hydrolase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 E3N A D335 W336 M339 I375 F381 Y383 Q384 M419 Y466 V498 H524 D107 W108 M111 I147 F153 Y155 Q156 M191 Y238 V270 H296 MOAD: ic50=4.99nM
PDBbind-CN: -logKd/Ki=7.92,IC50=12.0nM
BS02 MG A H506 D509 H278 D281
Gene Ontology
Molecular Function
GO:0003824 catalytic activity

View graph for
Molecular Function
External links
PDB RCSB:6fr2, PDBe:6fr2, PDBj:6fr2
PDBsum6fr2
PubMed30059891
UniProtP34913|HYES_HUMAN Bifunctional epoxide hydrolase 2 (Gene Name=EPHX2)

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