Structure of PDB 4mk5 Chain A Binding Site BS01

Receptor Information
>4mk5 Chain A (length=200) Species: 985958 (Influenza A virus (A/Lima/WRAIR1695P/2009(H1N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLGSMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVC
FMYSDFHFIDERGESIIVESGDPNALLKHRFEIIEGRDRIMAWTVVNSIC
NTTGVEKPKFLPDLYDYKENRFIEIGVTRREVHIYYLEKANKIKSEKTHI
HIFSFTGEEMATKADYTLDEESRARIKTRLFTIRQEMASRSLWDSFRQSE
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4mk5 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mk5 Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H41 D108 E119 I120 K134
Binding residue
(residue number reindexed from 1)		H46 D113 E124 I125 K139
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Biological Process
GO:0039694 viral RNA genome replication

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Molecular Function
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Biological Process
External links
PDB RCSB:4mk5, PDBe:4mk5, PDBj:4mk5
PDBsum4mk5
PubMed23978130
UniProtM9V5A4

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