Structure of PDB 4umw Chain A Binding Site BS01

Receptor Information
>4umw Chain A (length=603) Species: 624 (Shigella sonnei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLKENLPLITLIVMMAISWGLEQFNHPFGQLAFIATTLVGLYPIARQALR
LIKSGSYFAIETLMSVAAIGALFIGATAEAAMVLLLFLIGERLEGWAASR
VSALMALKPETATRLRNGEREEVAINSLRPGDVIEVAAGGRLPADGKLLS
PFASFDESALTGESIPVERATGDKVPAGATSVDRLVTLEVLSEPGASAID
RILKLIEEAEERRAPIERFIDRFSRIYTPAIMAVALLVTLVPPLLFAASW
QEWIYKGLTLLLIGCPCALVISTPAAITSGLAAAARRGALIKGGAALEQL
GRVTQVAFDKTGTLTVGKPRVTAIHPATGISESELLTLAAAVEQGATHPL
AQAIVREAQVAELAIPTAESQRALVGSGIEAQVNGERVLICAAGKHPADA
FAGLINELESAGQTVVLVVRNDDVLGIIALQDTLRADAATAISELNALGV
KGVILTGDNPRAAAAIAGELGLEFKAGLLPEDKVKAVTKLNQHAPLAMVG
DGINDAPAMKAAAIGIAMGSGTDVALETADAALTHNHLRGLVQMIELARA
THANIRQNITIALGLKGIFLVTTLLGMTGLWLAVLADTGATVLVTANALR
LLR
Ligand information
Ligand IDALF
InChIInChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4
InChIKeyUYOMQIYKOOHAMK-UHFFFAOYSA-J
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Al-](F)(F)F
FormulaAl F4
NameTETRAFLUOROALUMINATE ION
ChEMBL
DrugBankDB04444
ZINC
PDB chain4umw Chain A Residue 1731 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4umw Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases.
Resolution2.705 Å
Binding residue
(original residue number in PDB)		G289 D436 K437 T438 T583 K610
Binding residue
(residue number reindexed from 1)		G162 D309 K310 T311 T456 K483
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D436 D628 D632
Catalytic site (residue number reindexed from 1) D309 D501 D505
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4umw, PDBe:4umw, PDBj:4umw
PDBsum4umw
PubMed25132545
UniProtQ3YW59|ZNTA_SHISS Zinc/cadmium/lead-transporting P-type ATPase (Gene Name=zntA)

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