Structure of PDB 4u9r Chain A Binding Site BS03

Receptor Information
>4u9r Chain A (length=147) Species: 266264 (Cupriavidus metallidurans CH34) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NATEKLRLDIPVLLPGLPDSSDPCVERLLSELRGKEGVEAAHIKTANVDS
DSQICVHYDPAAISLARIRELVTSTGAVISSRFGHVLWQLKGVWHERRAR
TVASQLRALPGVIEAEVSASGIARVEFDNDRISAAGIEQALSKRGLA
Ligand information
Ligand IDTCE
InChIInChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyPZBFGYYEXUXCOF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CCP(CCC(O)=O)CCC(O)=O
OpenEye OEToolkits 1.5.0C(CP(CCC(=O)O)CCC(=O)O)C(=O)O
ACDLabs 10.04O=C(O)CCP(CCC(=O)O)CCC(=O)O
FormulaC9 H15 O6 P
Name3,3',3''-phosphanetriyltripropanoic acid;
3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
ChEMBLCHEMBL171512
DrugBank
ZINCZINC000002517013
PDB chain4u9r Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4u9r A new metal binding domain involved in cadmium, cobalt and zinc transport.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		K25 R27 H62 K64 H77
Binding residue
(residue number reindexed from 1)		K5 R7 H42 K44 H57
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4u9r, PDBe:4u9r, PDBj:4u9r
PDBsum4u9r
PubMed26192600
UniProtQ1LAJ7

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