Structure of PDB 7uaf Chain D Binding Site BS05

Receptor Information
>7uaf Chain D (length=529) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NGLRDPNTRWTFPIPYILADNLGLNAKGAILYAFEMFRLKSCVDFKPYEG
ESSYIIFQQFDGCWSEVGDQHVGQNISIGQGCAYKAIIEHEILHALGFYH
EQSRRDDYVNIWWDQILSGYQHNFDTYDDSLITPYDYESLMHYQPFSFNK
NASVPTITAKIPEFNSIIGQRLDFSAIDLERLNRMYNCTTTHTLLDHCTF
EKANICGMIQGTRDDTDWAHQDSAQAGEVDHTLLGQCTGAGYFMQFSTSS
GSAEEAALLESRILYPKRKQQCLQFFYKMTGSPSDRLVVWVRRDDSTGNV
RKLVKVQTFQGDDDHNWKIAHVVLKEEQKFRYLFQGTKGDPQNSTGGIYL
DDITLTETPCPTGVWTVRNFSQVLENTSKGDKLQSPRFYNSEGYGFGVTL
YPNSRESSGYLRLAFHVCSGENDAILEWPVENRQVIITILDQEPDVRNRM
SSSMVFTTSKSHTSPAINDTVIWDRPSRVGTYHTDCNCFRSIDLGWSGFI
SHQMLKRRSFLKNDDLIIFVDFEDITHLS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7uaf Chain D Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7uaf Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		T270 E272 D301 T303 Y313 D422
Binding residue
(residue number reindexed from 1)		T199 E201 D230 T232 Y242 D351
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.18: meprin A.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7uaf, PDBe:7uaf, PDBj:7uaf
PDBsum7uaf
PubMed36261433
UniProtQ16819|MEP1A_HUMAN Meprin A subunit alpha (Gene Name=MEP1A)

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