Structure of PDB 6eac Chain A Binding Site BS02

Receptor Information
>6eac Chain A (length=476) Species: 317 (Pseudomonas syringae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKALDELVFDNRFARLGDAFSTHVLPEPIDAPRLVVASESALALLDLAP
EQSELPLFAEIFSGHKLWAEAEPRAMVYSGHQFGSYNPRLGDGRGLLLGE
VYNDAGEHWDLHLKGAGRTPYSRMGDGRAVLRSSIREFLASEALHALGIP
SSRAACVVSSNTPVWREKQEYAAMVLRLAQSHVRFGSLEYLFYTKQPEHL
KTLAEHVLTMHYPHCQEQPEPYLAMFREIVERNAELIAKWQAYGFCHGVM
NTDNMSILGITFDFGPFAFLDDFDEHFICNHSDHEGRYSFSNQVPIAQWN
LSALGQALTPFVSVEALRETIGLFLPLYQAHYLDLMRRRLGLTVAQDQDD
KLVSQLLQLMQNSGVDYTLFFRRLGDQPAAQALRALRDDFVDIKVFDDWA
QAYQARIAAEENGTEQARKERMHAVNPLYILRNYLAQNAIEAAEKGDYEE
VRRLHQVLCTPFTEQPGMEGYAQRPP
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 chain6eac Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6eac Protein AMPylation by an Evolutionarily Conserved Pseudokinase.
Resolution2.269 Å
Binding residue
(original residue number in PDB)		S362 G363 D388
Binding residue
(residue number reindexed from 1)		S363 G364 D389
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.108: protein adenylyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
GO:0070733 AMPylase activity
Biological Process
GO:0018117 protein adenylylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6eac, PDBe:6eac, PDBj:6eac
PDBsum6eac
PubMed30270044
UniProtQ87VB1|SELO_PSESM Protein adenylyltransferase SelO (Gene Name=selO)

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