Structure of PDB 4mrr Chain A Binding Site BS01

Receptor Information
>4mrr Chain A (length=600) Species: 279238 (Novosphingobium aromaticivorans DSM 12444) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPKDARHDGWQTLKRFLPYLWPADNAVLRRRVVGAILMVLLGKATTLALP
FAYKKAVDAMTLGGGAQPALTVALAFVLAYALGRFSGVLFDNLRNIVFER
VGQDATRHLAENVFARLHKLSLRFHLARRTGEVTKVIERGTKSIDTMLYF
LLFNIAPTVIELTAVIVIFWLNFGLGLVTATILAVIAYVWTTRTITEWRT
HLREKMNRLDGQALARAVDSLLNYETVKYFGAESREEARYASAARAYADA
AVKSENSLGLLNIAQALIVNLLMAGAMAWTVYGWSQGKLTVGDLVFVNTY
LTQLFRPLDMLGMVYRTIRQGLIDMAEMFRLIDTHIEVADVPNAPALVVN
RPSVTFDNVVFGYDRDREILHGLSFEVAAGSRVAIVGPSGAGKSTIARLL
FRFYDPWEGRILIDGQDIAHVTQTSLRAALGIVPQDSVLFNDTIGYNIAY
GRDGASRAEVDAAAKGAAIADFIARLPQGYDTEVGERGLKLSGGEKQRVA
IARTLVKNPPILLFDEATSALDTRTEQDILSTMRAVASHRTTISIAHRLS
TIADSDTILVLDQGRLAEQGSHLDLLRRDGLYAEMWARQAAESAEVSEAA
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 chain4mrr Chain A Residue 705 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mrr Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Resolution2.97 Å
Binding residue
(original residue number in PDB)		S396 G399 S401
Binding residue
(residue number reindexed from 1)		S389 G392 S394
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:4mrr, PDBe:4mrr, PDBj:4mrr
PDBsum4mrr
PubMed24604198
UniProtQ2G506|ATM1_NOVAD ATM1-type heavy metal exporter (Gene Name=atm1)

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