Structure of PDB 1i1i Chain P Binding Site BS01

Receptor Information
>1i1i Chain P (length=665) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYE
NCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEM
SMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRN
EIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDE
DKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPL
RAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREF
ILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPI
EVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFY
LDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSL
LRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWV
WDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQ
SLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGY
LWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFL
QREPNQKAFLMSRGL
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 chain1i1i Chain P Residue 701 [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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PDB1i1i Structure of neurolysin reveals a deep channel that limits substrate access.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H474 H478 E503
Binding residue
(residue number reindexed from 1)		H461 H465 E490
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H474 E475 H478 E503 Y613
Catalytic site (residue number reindexed from 1) H461 E462 H465 E490 Y600
Enzyme Commision number 3.4.24.16: neurolysin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008233 peptidase activity
GO:0008237 metallopeptidase activity
GO:0042277 peptide binding
GO:0046872 metal ion binding
GO:0070012 oligopeptidase activity
Biological Process
GO:0006111 regulation of gluconeogenesis
GO:0006508 proteolysis
GO:0006518 peptide metabolic process
GO:0030163 protein catabolic process
GO:0043171 peptide catabolic process
GO:1902809 regulation of skeletal muscle fiber differentiation
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005758 mitochondrial intermembrane space
GO:0005829 cytosol
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1i1i, PDBe:1i1i, PDBj:1i1i
PDBsum1i1i
PubMed11248043
UniProtP42676|NEUL_RAT Neurolysin, mitochondrial (Gene Name=Nln)

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