Structure of PDB 4mrs Chain B Binding Site BS03

Receptor Information
>4mrs Chain B (length=598) Species: 279238 (Novosphingobium aromaticivorans DSM 12444) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKDARHDGWQTLKRFLPYLWPADNAVLRRRVVGAILMVLLGKATTLALPF
AYKKAVDAMTLGGGAQPALTVALAFVLAYALGRFSGVLFDNLRNIVFERV
GQDATRHLAENVFARLHKLSLRFHLARRTGEVTKVIERGTKSIDTMLYFL
LFNIAPTVIELTAVIVIFWLNFGLGLVTATILAVIAYVWTTRTITEWRTH
LREKMNRLDGQALARAVDSLLNYETVKYFGAESREEARYASAARAYADAA
VKSENSLGLLNIAQALIVNLLMAGAMAWTVYGWSQGKLTVGDLVFVNTYL
TQLFRPLDMLGMVYRTIRQGLIDMAEMFRLIDTHIEVADVPNAPALVVNR
PSVTFDNVVFGYDRDREILHGLSFEVAAGSRVAIVGPSGAGKSTIARLLF
RFYDPWEGRILIDGQDIAHVTQTSLRAALGIVPQDSVLFNDTIGYNIAYG
RDGASRAEVDAAAKGAAIADFIARLPQGYDTEVGERGLKLSGGEKQRVAI
ARTLVKNPPILLFDEATSALDTRTEQDILSTMRAVASHRTTISIAHRLST
IADSDTILVLDQGRLAEQGSHLDLLRRDGLYAEMWARQAAESAEVSEA
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4mrs Chain B Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mrs Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		S396 G399 S401
Binding residue
(residue number reindexed from 1)		S388 G391 S393
Annotation score1
Enzymatic activity
Enzyme Commision number 7.-.-.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0046689 response to mercury ion
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4mrs, PDBe:4mrs, PDBj:4mrs
PDBsum4mrs
PubMed24604198
UniProtQ2G506|ATM1_NOVAD ATM1-type heavy metal exporter (Gene Name=atm1)

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