Structure of PDB 7rkr Chain A

Receptor sequence

>7rkrA (length=451) Species: 5763 (Naegleria fowleri) [Search protein sequence]

KLPPRVPNLIPYVGSFVSFAKNPVQFIIDNSKKYGDVFTATILGKEMTFL
NHPKILDTFFKATDNELSLRDVYRFMRPVFGTGVVYDADSTERMMEQVKF
VSSGLTTARFRVFVDIFEDEIAHKVKELGPEGTVDVAELMADLIIFTASR
CLLGDEVRQYLSEKNLGKLYHDIDDGISPLSFFYPSLPAPKRDKARKAVG
EIFQELLDKRREEHKKHPERLLDESKMDVVDHLLTQKYKDGQELTDVHRI
GILIAGLFAGQHTSSITSSWTLMNVISNKKVLEKVRKEQEEIMGSDKVLD
YDKVMKMDYLEACMKEALRMYPPLIMIMRMARKPRECEQYIIPKGNILVV
SPSVAGRCTDTYTNPDVFDPERLTERKEHEKFKYGAVPFGAGRHKCIGEN
FALLQVKSIISILLRYFDMEYIGKIPDPSYTSLVVGPSPPTRMRYKLRKQ
Q

3D structure

PDB

7rkr Structure aided approaches to develop Naegleria fowleri specific brain permeable CYP51 inhibitors.

Chain

Resolution

1.76 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

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)
BS01	HEM	A	Y120 A293 T297 L358 R363 P422 F423 H428 C430 I431 G432 A436	Y86 A259 T263 L324 R329 P388 F389 H394 C396 I397 G398 A402
BS02	L49	A	Y107 F109 M110 V119 Y120 A289 G290 F292 A293 L358	Y73 F75 M76 V85 Y86 A255 G256 F258 A259 L324
BS03	CA	A	L43 S49 V51 S52	L9 S15 V17 S18
BS04	CA	A	L84 N85 S385	L50 N51 S351

Gene Ontology

	Molecular Function
GO:0004497	monooxygenase activity
GO:0005506	iron ion binding
GO:0016705	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037	heme binding
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:7rkr, PDBe:7rkr, PDBj:7rkr
PDBsum	7rkr
PubMed	38085955
UniProt	A0A2H4A2U9

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