Structure of PDB 5zt1 Chain B Binding Site BS11

Receptor Information
>5zt1 Chain B (length=339) Species: 623 (Shigella flexneri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMHTQVGRGLLGAVVNPLGEVTDKFAVTDNSEILYRPVDNAPPLYSERA
AIEKPFLTGIKVIDSLLTCGEGQRMGIFASAGCGKTFLMNMLIEHSGADI
YVIGLIGERGREVTETVDYLKNSEKKSRCVLVYATSDYSSVDRCNAAYIA
TAIAEFFRTEGHKVALFIDSLTRYARALRDVALAAGESPARRGYPVSVFD
SLPRLLERPGKLKAGGSITAFYTVLLEDDDFADPLAEEVRSILDGHIYLS
RNLAQKGQFPAIDSLKSISRVFTQVVDEKHRIMAAAFRELLSEIEEPGEN
ASQDKIYNKISVVESFLKQDYRLGFTYEQTMELIGETIR
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 chain5zt1 Chain B Residue 517 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zt1 Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri
Resolution3.114 Å
Binding residue
(original residue number in PDB)		L323 G325 R350
Binding residue
(residue number reindexed from 1)		L243 G245 R270
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K165 E188 R189 R350
Catalytic site (residue number reindexed from 1) K85 E108 R109 R270
Enzyme Commision number 7.4.2.8: protein-secreting ATPase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0009058 biosynthetic process
GO:0030254 protein secretion by the type III secretion system
Cellular Component
GO:0005737 cytoplasm
GO:0030257 type III protein secretion system complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5zt1, PDBe:5zt1, PDBj:5zt1
PDBsum5zt1
PubMed30013545
UniProtP0A1C1|SCTN_SHIFL Type 3 secretion system ATPase (Gene Name=sctN)

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