Structure of PDB 6oad Chain C Binding Site BS03

Receptor Information
>6oad Chain C (length=426) 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]
TEAMKITLSTQPADARWGEKATYSINNDGITLHLNGADDLGLIQRAARKI
DGLGIKHVQLSGEGWDADRCWAFWQGYKAPKGTRKVVWPDLDDAQRQELD
NRLMIIDWVRDTINAPAEELGPSQLAQRAVDLISNVAGDRVTYRITKGED
LREQGYMGLHTVGRGSERSPVLLALDYNPTGDKEAPVYACLVGKGITFDS
GGYSIKQTAFMDSMKSDMGGAATVTGALAFAITRGLNKRVKLFLCCADNL
ISGNAFKLGDIITYRNGKKVEVMNTDAEGRLVLADGLIDASAQKPEMIID
AATLTGAAKTALGNDYHALFSFDDALAGRLLASAAQENEPFWRLPLAEFH
RSQLPSNFAELNNTGSAAYPAGASTAAGFLSHFVENYQQGWLHIDCSATY
RKAPVEQWSAGATGLGVRTIANLLTA
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 C 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)		I114 A116 K216 M219
Binding residue
(residue number reindexed from 1)		I113 A115 K215 M218
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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