Structure of PDB 5klq Chain A Binding Site BS01

Receptor Information
>5klq Chain A (length=324) Species: 321 (Pseudomonas syringae pv. syringae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERTQSMRLQQKINDLKPYVRHARGPIKAYGQAALDRASGAATSVSFAELD
ATHLDAMVYIENQRNPGLNLKHFRDHYYLIQALQSDGPSAFRAIFPQTCP
ETGQTLKHHVMADVRLHQAPTIIITEPAVIVGARYQQLQRHNLTLEDLSE
SGVPLSQVAIIETQAQKTSDDCVMYSLNYAIKAHKNAAQFDDIHHGLQHG
TLSTESESRARTTLGALEASSSYSVMHEGAHAAFGADVLPVDFYKHGASL
TQAYYLMKRPDGRMAGRVNSEGHSEAENLVQRNQAFRVKRRELLDDETPS
NTQFSASIDGFRLQEIKRVLAAAQ
Ligand information
Ligand IDIHP
InChIInChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKeyIMQLKJBTEOYOSI-GPIVLXJGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
FormulaC6 H18 O24 P6
NameINOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
ChEMBLCHEMBL1233511
DrugBankDB14981
ZINCZINC000169289809
PDB chain5klq Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5klq Structure of a pathogen effector reveals the enzymatic mechanism of a novel acetyltransferase family.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		K53 R106 I225 K226 K229 K289 H290 N313 S314 R326 F355 Q358 R362
Binding residue
(residue number reindexed from 1)		K11 R64 I181 K182 K185 K245 H246 N269 S270 R282 F311 Q314 R318
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0000822 inositol hexakisphosphate binding
GO:0005515 protein binding
GO:0016413 O-acetyltransferase activity
GO:0016746 acyltransferase activity
GO:0090729 toxin activity
Biological Process
GO:0035821 modulation of process of another organism
Cellular Component
GO:0005576 extracellular region
GO:0016020 membrane
GO:0020002 host cell plasma membrane
GO:0030430 host cell cytoplasm
GO:0042025 host cell nucleus
GO:0044163 host cytoskeleton

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5klq, PDBe:5klq, PDBj:5klq
PDBsum5klq
PubMed27525589
UniProtQ6VE93|HOZ1A_PSESY Serine/threonine-protein acetyltransferase HopZ1a (Gene Name=hopZ1a)

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