Structure of PDB 6qs8 Chain D Binding Site BS04

Receptor Information
>6qs8 Chain D (length=625) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QALKKYTIDLTERAEQGKLDPVIGRDEEIRRTIQVLQRRTKNNPVLIGEP
GVGKTAIVEGLAQRIINGEVPEGLKGRRVLALDMGALVAGAKYRGEFEER
LKGVLNDLAKQEGNVILFIDALHTMVGAGMDAGNMLKPALARGELHCVGA
TTLDEYRQYIEKDAALERRFQKVFVAEPSVEDTIAILRGLKERYELHHHV
QITDPAIVAAATLSHRYIADRQLPDKAIDLIDEAASSIRMQIDSKPEELD
RLDRRIIQLKLEQQALMLDMLNEELSDKERQYSELEEEWKAEKLRNKVTD
AEIAEVLARWTGIPVSRMMESEREKLLRMEQELHHRVIGQNEAVDAVSNA
IRRSRAGLADPNRPIGSFLFLGPTGVGKTELCKALANFMFDSDEAMVRID
MSEFMEKHSVSRLVGAPPGYVGYEEGGYLTEAVRRRPYSVILLDAVEKAH
PDVFNILLQVLDDGRLTDGQGRTVDFRNTVVIMTSNLGSDLIQERFGELD
YAHMKELVLGVVSHNFRPEFINRIDEVVVFHPLGEQHIASIAQIQLKRLY
KRLEERGYEIHISDEALKLLSENGYDPVYGARPLKRAIQQQIENPLAQQI
LSGELVPGKVIRLEVNEDRIVAVQH
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 chain6qs8 Chain D Residue 904 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6qs8 Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		T612 D677
Binding residue
(residue number reindexed from 1)		T379 D444
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
Biological Process
GO:0009408 response to heat
GO:0034605 cellular response to heat
GO:0042026 protein refolding
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6qs8, PDBe:6qs8, PDBj:6qs8
PDBsum6qs8
PubMed31216466
UniProtP63284|CLPB_ECOLI Chaperone protein ClpB (Gene Name=clpB)

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