Structure of PDB 7di7 Chain A Binding Site BS02

Receptor Information
>7di7 Chain A (length=1076) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEWIHEKSPKHNSYDIIEKRYNEEFKMTYTVYQHKKAKTQVISLGTNDPL
DVEQAFAFYVKTLTHSGKGIPHILEHSVLSGSKNYNYKNSIGLLEKGTLH
THLNAYTFNDRTVYMAGSMNNKDFFNIMGVYMDSVFQPNVLENKYIFETE
GWTYEVEKLKEDEKGKAEIPQMKDYKVSFNGIVYNEMKGALSSPLEDLYH
EEMKYMFPDNVHSNNSGGDPKEITNLTYEEFKEFYYKNYNPKKVKVFFFS
KNNPTELLNFVDQYLGQLDYSKYRDDAVESVEYQTYKKGPFYIKKKYGDH
SEEKENLVSVAWLLNPKVDLSLENPTDYFVLLIINNLLIHTPESVLYKAL
TDCGLGNNVIDRGLNDSLVQYIFSIGLKGIKRNNEKIKNFDKVHYEVEDV
IMNALKKVVKEGFNKSAVEASINNIEFILKEANLKTSKSIDFVFEMTSKL
NYNRDPLLIFEFEKYLNIVKNKIKNEPMYLEKFVEKHFINNAHRSVILLE
GDENYAQEQENLEKQELKKRIENFNEQEKEQVIKNFEELSKYKNAEESPE
HLNKFPIISISDLNKKTLEVPVNVYFTNINENNNIMETYNKLKTNEHMLK
DNMDVFLKKYVLKETKYEGNVPILVYEMPTTGIVYLQFVFSLDHLTVDEL
AYLNLFKTLILENKTNKRSSEDFVILREKNIGSMSANVALYSKDDHLNVT
DKYNAQALFNLEMHVLSHKCNDALNIALEAVKESDFSNKKKVIDILKRKI
NGMKTTFSEKGYAILMKYVKAHLNSKHYAHNIIYGYENYLKLQEQLELAE
NDFKTLENILVRIRNKIFNKKNLMVSVTSDYGALKHLFVNSNESLKNLVS
YFEENDKYIVMGWNEEIKSKKLFDEEKVKKEFFVLPTFVNSVSMSGILFK
PGEYLDPSFTVIVAALKNSYLWDTVRGLNGAYGVFADIEYDGSVVFLSAR
DPNLEKTLATFRESAKGLRKMADTMTENDLLRYIINTIGTIDKPRRGIEL
SKLSFLRLISNESEQDRVEFRKRIMNTKKEDFYKFADLLESKVNEFEKNI
VIITTKEKANEYIANVDGEFKKVLIE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7di7 Chain A Residue 1204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7di7 Protease in complex with compound
Resolution1.82 Å
Binding residue
(original residue number in PDB)		H129 H133 E243
Binding residue
(residue number reindexed from 1)		H72 H76 E186
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0016485 protein processing
GO:0042540 hemoglobin catabolic process
Cellular Component
GO:0005773 vacuole
GO:0005774 vacuolar membrane
GO:0016020 membrane
GO:0020011 apicoplast
GO:0020020 food vacuole
GO:0031982 vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7di7, PDBe:7di7, PDBj:7di7
PDBsum7di7
PubMed38593807
UniProtQ76NL8|FCLN_PLAF7 Falcilysin (Gene Name=FLN)

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