Structure of PDB 6oad Chain I Binding Site BS03

Receptor Information
>6oad Chain I (length=425) Species: 511145 (Escherichia coli str. K-12 substr. MG1655) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EAMKITLSTQPADARWGEKATYSINNDGITLHLNGADDLGLIQRAARKID
GLGIKHVQLSGEGWDADRCWAFWQGYKAPKGTRKVVWPDLDDAQRQELDN
RLMIIDWVRDTINAPAEELGPSQLAQRAVDLISNVAGDRVTYRITKGEDL
REQGYMGLHTVGRGSERSPVLLALDYNPTGDKEAPVYACLVGKGITFDSG
GYSIKQTAFMDSMKSDMGGAATVTGALAFAITRGLNKRVKLFLCCADNLI
SGNAFKLGDIITYRNGKKVEVMNTDAEGRLVLADGLIDASAQKPEMIIDA
ATLTGAAKTALGNDYHALFSFDDALAGRLLASAAQENEPFWRLPLAEFHR
SQLPSNFAELNNTGSAAYPAGASTAAGFLSHFVENYQQGWLHIDCSATYR
KAPVEQWSAGATGLGVRTIANLLTA
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 chain6oad Chain I Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6oad Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		T113 I114 A116 K216 M219
Binding residue
(residue number reindexed from 1)		T111 I112 A114 K214 M217
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.11.23: PepB aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0005515 protein binding
GO:0008233 peptidase activity
GO:0030145 manganese ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0019538 protein metabolic process
GO:0043171 peptide catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6oad, PDBe:6oad, PDBj:6oad
PDBsum6oad
PubMed32306515
UniProtP37095|PEPB_ECOLI Peptidase B (Gene Name=pepB)

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