Structure of PDB 4l3k Chain A Binding Site BS01

Receptor Information
>4l3k Chain A (length=141) Species: 1474 (Sporosarcina pasteurii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLITKIVGHIDDYESSDKKVDWLEVEWEDLNKRILRKETENGTDIAIKLE
NSGTLRYGDVLYESDDTLIAIRTKLEKVYVIKPQTMQEMGKMAFEIGNRH
TMCIIEDDEILVRYDKTLEKLIDEVGVSYEQSERRFKEPFK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4l3k Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4l3k Selectivity of Ni(II) and Zn(II) binding to Sporosarcina pasteurii UreE, a metallochaperone in the urease assembly: a calorimetric and crystallographic study.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		H9 D12
Binding residue
(residue number reindexed from 1)		H9 D12
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016151 nickel cation binding
GO:0046872 metal ion binding
GO:0051082 unfolded protein binding
Biological Process
GO:0006457 protein folding
GO:0019627 urea metabolic process
GO:0065003 protein-containing complex assembly
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:4l3k, PDBe:4l3k, PDBj:4l3k
PDBsum4l3k
PubMed24126709
UniProtP50049|UREE_SPOPA Urease accessory protein UreE (Gene Name=ureE)

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