Structure of PDB 4rpu Chain A Binding Site BS01

Receptor Information
>4rpu Chain A (length=988) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AACERALQYKLGDKIHGFTVNQVTSVPELFLTAVKLTHDDTGARYLHLAR
EDTNNLFSVQFRTTPMDSTGVPHILQHTVLCGSQKYPCRDPFFKMLNRSL
STFMNAFTASDYTLYPFSTQNPKDFQNLLSVYLDATFFPCLRELDFWQEG
WRLEHENPSDPQTPLVFKGVVFNEMKGAFTDNERIFSQHLQNRLLPDHTY
SVVSGGDPLCIPELTWEQLKQFHATHYHPSNARFFTYGNFPLEQHLKQIH
EEALSKFQKIEPSTVVPAQTPWDKPREFQITCGPDSFATDPSKQTTVSVS
FLLPDITDTFEAFTLSLLSSLLTSGPNSPFYKALIESGLGTDFSPDVGYN
GYTREAYFSVGLQGIVEKDIETVRSLIDRTIDEVVEKGFEDDRIEALLHK
IEIQMKHQSTSFGLMLTSYIASCWNHDGDPVELLKLGNQLAKFRQCLQEN
PKFLQEKVKQYFKNNQHKLTLSMRPDDKYHEKQAQVEATKLKQKVEALSP
GDRQQIYEKGLELRSQQSKPQDASCLPALKVSDIEPTIPVTELDVVLTAG
DIPVQYCAQPTNGMVYFRAFSSLNTLPEELRPYVPLFCSVLTKLGCGLLD
YREQAQQIELKTGGMSASPHVLPDDSHMDTYEQGVLFSSLCLDRNLPDMM
QLWSEIFNNPCFEEEEHFKVLVKMTAQELANGIPDSGHLYASIRAGRTLT
PAGDLQETFSGMDQVRLMKRIAEMTDIKPILRKLPRIKKHLLNGDNMRCS
VNATPQQMPQTEKAVEDFLRSIGRSRPVRPHTVEKPVPVIRKLVMEPTFK
PWQMKTHFLMPFPVNYVGECIRTVPYTDPDHASLKILARLMTAKFLHTEI
REKGGAYGGGAKLSHNGIFTLYSYRDPNTIETLQSFGKAVDWAKSGKFTQ
QDIDEAKLSVFSTVDAPVAPSDKGMDHFLYGLSDEMKQAHREQLFAVSHD
KLLAVSDRYLGTGKSTHGLAILGPENPKIAKDPSWIIR
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 chain4rpu Chain A Residue 1101 [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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PDB4rpu Crystal Structure of Human Presequence Protease in Complex with Inhibitor MitoBloCK-60
Resolution2.265 Å
Binding residue
(original residue number in PDB)		H104 H108 E205
Binding residue
(residue number reindexed from 1)		H73 H77 E174
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008047 enzyme activator activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0006626 protein targeting to mitochondrion
GO:0016485 protein processing
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4rpu, PDBe:4rpu, PDBj:4rpu
PDBsum4rpu
PubMed
UniProtQ5JRX3|PREP_HUMAN Presequence protease, mitochondrial (Gene Name=PITRM1)

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