Structure of PDB 5nh2 Chain A Binding Site BS01

Receptor Information
>5nh2 Chain A (length=289) Species: 283166 (Bartonella henselae str. Houston-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISPHHYVYPNTTTLKNKYGIKNLNAFLEKCSHDTAKAMINLREESLPEYF
DTAYLCHIHQQLFKNTFEWAGYLRHIPFTFADGTTAAMPEMKRTGWKNAF
AIGDEIQEGLQRLDQTLAEKNNLQGLTREEFNSEAIELFNSLNQLHPFRE
GNGRTQRLFFENLAKAAGHQLNFSLITKERMMVASVAVAENGDLEPMQHL
FEDISNPEKIRLLKEFMHTMKNTGRNVNDRPVMVAKEGETYTGTYRGAGL
EGFALNVKGAYIIGNIDHLPPEQLKILKPGDKITFTAPK
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 chain5nh2 Chain A Residue 500 [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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PDB5nh2 Bartonella henselae BepA Fic domain in complex with its antitoxin homologue BiaA
Resolution2.321 Å
Binding residue
(original residue number in PDB)		E163 G164
Binding residue
(residue number reindexed from 1)		E150 G151
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.108: protein adenylyltransferase.
External links
PDB RCSB:5nh2, PDBe:5nh2, PDBj:5nh2
PDBsum5nh2
PubMed
UniProtQ6G2A9|BEPA_BARHE Protein adenylyltransferase (Gene Name=bepA)

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