Structure of PDB 5doo Chain A Binding Site BS01

Receptor Information
>5doo Chain A (length=510) Species: 257363 (Rickettsia typhi str. Wilmington) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PYPPFTFSYTYPPYLRTIGKLFGLNPPLLETAKVLDIGCGIGVNLLNFAE
TYPKSQSLGVDLSKTQIELGKKTISDAKINNVELKALSILDLDESYGKFD
YIVCHGVYSWVSQEVQDKILEVLNKLLNPNGIAFVSYNTLPGWNMQNTIR
EMMMFHSESKLQQARLLLKFINDSLGNSTTPYANFLRDEAKLISTYDDSY
VLHEYLGEINTGTYFHQFIEKAQKNHLNYLGDTSIAAMFIGNLPTKAASK
LQAINDIVCTEQYMDFITNRKFRSTLLCHQNIPINRKIEFDNLKDFYTTF
NIRPISPENKIDLNNEQENISFYYENLPEPFISTTSAIMKAILYVYAENI
SNPIRLEQVAKEAFKKLGKYRLQDFLATLEQHFITLIFQGYLKIFETKPH
AIATITEKPKTSQFARYQAKHAHFNNVTNMFSITNRLNDMIGIPIHEKYI
LEMLDGTHNIDDIKKSIIEKINSKLLTACDVTDPKLLKEFVDYVVAVSLE
KFRINYLLVG
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 chain5doo Chain A Residue 601 [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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PDB5doo Structural Insights into Substrate Recognition and Catalysis in Outer Membrane Protein B (OmpB) by Protein-lysine Methyltransferases from Rickettsia.
Resolution3.133 Å
Binding residue
(original residue number in PDB)		E513 D516
Binding residue
(residue number reindexed from 1)		E489 D492
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5doo, PDBe:5doo, PDBj:5doo
PDBsum5doo
PubMed27474738
UniProtQ68XQ5

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