Structure of PDB 4mrp Chain B Binding Site BS01

Receptor Information
>4mrp 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 IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain4mrp Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4mrp Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y156 M317
Binding residue
(residue number reindexed from 1)		Y148 M309
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4mrp, PDBe:4mrp, PDBj:4mrp
PDBsum4mrp
PubMed24604198
UniProtQ2G506|ATM1_NOVAD ATM1-type heavy metal exporter (Gene Name=atm1)

[Back to BioLiP]