Structure of PDB 1r6b Chain X Binding Site BS01

Receptor Information
>1r6b Chain X (length=704) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLNQELELSLNMAFARAREHRHEFMTVEHLLLALLSNPSAREALEACSVD
LVALRQELEAFIEQTTPVLPASEEERDTQPTLSFQRVLQRAVFHVQSSGR
NEVTGANVLVAIFSEQESQAAYLLRKHEVSRLDVVNFISHGLENFTTNLN
QLARVGGIDPLIGREKELERAIQVLCRRRKNNPLLVGESGVGKTAIAEGL
AWRIVQGDVPEVMADCTIYSLDIGAGTKYRGDFEKRFKALLKQLEQDTNS
ILFIDEIHTIIGAGAASGGQVDAANLIKPLLSSGKIRVIGSTTYQEFSNI
FEKDRALARRFQKIDITEPSIEETVQIINGLKPKYEAHHDVRYTAKAVRA
AVELAVKYINDRHLPDKAIDVIDEAGARARLMPVSKRKKTVNVADIESVV
ARIARIPEKSVSQSDRDTLKNLGDRLKMLVFGQDKAIEALTEAIKMARAG
LGHEHKPVGSFLFAGPTGVGKTEVTVQLSKALGIELLRFDMSEYMERHTV
SRLIGAPPGYVGFDQGGLLTDAVIKHPHAVLLLDEIEKAHPDVFNILLQV
MDNGTLTDNNGRKADFRNVVLVMTTNAGVRAMEEIKKIFTPEFRNRLDNI
IWFDHLSTDVIHQVVDKFIVELQVQLDQKGVSLEVSQEARNWLAEKGYDR
AMGARPMARVIQDNLKKPLANELLFGSLVDGGQVTVALDKEKNELTYGFQ
SAQK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1r6b Chain X Residue 784 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1r6b Crystallographic investigation of peptide binding sites in the N-domain of the ClpA chaperone.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D520 S522 E565
Binding residue
(residue number reindexed from 1)		D490 S492 E535
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004176 ATP-dependent peptidase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006508 proteolysis
GO:0006515 protein quality control for misfolded or incompletely synthesized proteins
GO:0006979 response to oxidative stress
GO:0034605 cellular response to heat
GO:0043335 protein unfolding
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0009368 endopeptidase Clp complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1r6b, PDBe:1r6b, PDBj:1r6b
PDBsum1r6b
PubMed15037248
UniProtP0ABH9|CLPA_ECOLI ATP-dependent Clp protease ATP-binding subunit ClpA (Gene Name=clpA)

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