Structure of PDB 5l44 Chain B Binding Site BS01

Receptor Information
>5l44 Chain B (length=662) Species: 592016 (Astrosporangium hypotensionis K-26) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENPFFAPSALPYGLPPFAEIREEHYVPAFERGMAEQLAEVEAIAGDTEAP
TFDNTVAALERSGQVLTRVSAVFFNQSSSDTNPTVQEIQKQIIPKLTQHG
DAIHLNRPLFARIKQISPDGLDAEQAWLLERYVTDFVRAGAELGAGDQER
LKALNEELSTLSTRFEQNLLAHTNASAVIVDDVAQLDGLSDDSVKAAAET
AKSRGLPGKYVIPLVLPTGQPGLAELTDRALRERIHRASIQRGVPDNEEL
IVRIATLRAERAKLLGYPTHAAYVVADQTAPTTEAVTEMLGKLTPPAVAN
AHREADELREQAGHDLEPWDWSFYAEKVLKERYAIDGRQMRPYFELDRVL
RDGVFHAATLLYGITFTERPDLVGYHPDVRVFEVFNEDGSQLGLFLGDYY
ARPSKRGGAWMNSLVKQSTLEGTRPVVVNNLNIAKPPAGEPTLMTFEEVN
TMFHEFGHALHGLFSEVHYPRFSGTAVPRDFVEYPSQVNEMWAVWPSVLA
NYARHWQTGDPMPKDLLDRMLKSQKYNQGYKTVEYLAATLLDWSWHTFQT
PPENALTFEHEALTTAGVDLKLVPPRYRSTYFAHIWSSGYSAGYYSYIWS
EVLDADTVDWFHENGGLLRENGDTFRQKLLSKGGSVDPMTAFQSFRGRTP
RIEPLLDRRGLL
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 chain5l44 Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5l44 Crystal structure of a peptidyl-dipeptidase K-26-DCP from Actinomycete in complex with its natural inhibitor.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H463 H467 E492
Binding residue
(residue number reindexed from 1)		H454 H458 E483
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H463 E464 H467 Y606
Catalytic site (residue number reindexed from 1) H454 E455 H458 Y597
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0004222 metalloendopeptidase activity
GO:0008233 peptidase activity
GO:0008237 metallopeptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005829 cytosol
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5l44, PDBe:5l44, PDBj:5l44
PDBsum5l44
PubMed27754586
UniProtA0A1L1QK30

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