Structure of PDB 4umv Chain A Binding Site BS01

Receptor Information
>4umv Chain A (length=605) Species: 624 (Shigella sonnei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KENLPLITLIVMMAISWGLEQFNHPFGQLAFIATTLVGLYPIARQALRLI
KSGSYFAIETLMSVAAIGALFIGATAEAAMVLLLFLIGERLEGWAASRAR
QGVSALMALKPETATRLRNGEREEVAINSLRPGDVIEVAAGGRLPADGKL
LSPFASFDESALTGESIPVERATGDKVPAGATSVDRLVTLEVLSEPGASA
IDRILKLIEEAEERRAPIERFIDRFSRIYTPAIMAVALLVTLVPPLLFAA
SWQEWIYKGLTLLLIGCPCALVISTPAAITSGLAAAARRGALIKGGAALE
QLGRVTQVAFDKTGTLTVGKPRVTAIHPATGISESELLTLAAAVEQGATH
PLAQAIVREAQVAELAIPTAESQRALVGSGIEAQVNGERVLICAAGKHPA
DAFAGLINELESAGQTVVLVVRNDDVLGIIALQDTLRADAATAISELNAL
GVKGVILTGDNPRAAAAIAGELGLEFKAGLLPEDKVKAVTKLNQHAPLAM
VGDGINDAPAMKAAAIGIAMGSGTDVALETADAALTHNHLRGLVQMIELA
RATHANIRQNITIALGLKGIFLVTTLLGMTGLWLAVLADTGATVLVTANA
LRLLR
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 chain4umv Chain A Residue 1731 [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]
PDB4umv Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		T438 D628
Binding residue
(residue number reindexed from 1)		T313 D503
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D436 D628 D632
Catalytic site (residue number reindexed from 1) D311 D503 D507
Enzyme Commision number 7.2.2.-
7.2.2.12: P-type Zn(2+) transporter.
7.2.2.21: Cd(2+)-exporting ATPase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005215 transporter activity
GO:0005524 ATP binding
GO:0008551 P-type cadmium transporter activity
GO:0015086 cadmium ion transmembrane transporter activity
GO:0015662 P-type ion transporter activity
GO:0016463 P-type zinc transporter activity
GO:0016887 ATP hydrolysis activity
GO:0019829 ATPase-coupled monoatomic cation transmembrane transporter activity
GO:0046872 metal ion binding
Biological Process
GO:0006812 monoatomic cation transport
GO:0006829 zinc ion transport
GO:0030001 metal ion transport
GO:0055085 transmembrane transport
GO:0070574 cadmium ion transmembrane transport
GO:0071577 zinc ion transmembrane transport
GO:0098655 monoatomic cation 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:4umv, PDBe:4umv, PDBj:4umv
PDBsum4umv
PubMed25132545
UniProtQ3YW59|ZNTA_SHISS Zinc/cadmium/lead-transporting P-type ATPase (Gene Name=zntA)

[Back to BioLiP]