Structure of PDB 7p7n Chain CCC Binding Site BS02

Receptor Information
>7p7n Chain CCC (length=564) Species: 1474 (Sporosarcina pasteurii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKINRQQYAESYGPTVGDQVRLADTDLWIEVEKDYTTYGDEANFGGGKVL
REGMGENGTYTRTENVLDLLLTNALILDYTGIYKADIGVKDGYIVGIGKG
GNPDIMDGVTPNMIVGTATEVIAAEGKIVTAGGIDTHVHFINPDQVDVAL
ANGITTLFGGGTGPAEGSKATTVTPGPWNIEKMLKSTEGLPINVGILGKG
HGSSIAPIMEQIDAGAAGLKIHEDWGATPASIDRSLTVADEADVQVAIHS
DTLNEAGFLEDTLRAINGRVIHSFHVEGAGGGHAPDIMAMAGHPNVLPSS
TNPTRPFTVNTIDEHLDMLMVCHPEDVAFADSRIRPETIAAEDILHDLGI
ISMMSTDALAMGRAGEMVLRTWQTADKMKKQRGPLAEEKNGSDNFRAKRY
VSKYTINPAIAQGIAHEVGSIEEGKFADLVLWEPKFFGVKADRVIKGGII
AYAQIGDPSASIPTPQPVMGRRMYGTVGDLIHDTNITFMSKSSIQQGVPA
KLGLKRRIGTVKNCRNIGKKDMKWNDVTTDIDINPETYEVKVDGEVLTCE
PVKELPMAQRYFLF
Ligand information
Ligand IDAUF
InChIInChI=1S/C6H15P.Au/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;
InChIKeyNKNLIDCIHVTIMI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385[Au+].CC[P--](CC)CC
OpenEye OEToolkits 1.9.2CC[P-](CC)(CC)[Au+]
FormulaC6 H15 Au P
Nametriethylphosphanuidylgold(1+);
gold(I)-triethylphosphane
ChEMBL
DrugBank
ZINC
PDB chain7p7n Chain CCC Residue 608 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p7n Medicinal Au(I) compounds targeting urease as prospective antimicrobial agents: unveiling the structural basis for enzyme inhibition.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Q387 C555
Binding residue
(residue number reindexed from 1)		Q381 C549
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.5: urease.
Gene Ontology
Molecular Function
GO:0009039 urease activity
GO:0016151 nickel cation binding
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding
Biological Process
GO:0043419 urea catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7p7n, PDBe:7p7n, PDBj:7p7n
PDBsum7p7n
PubMed34585201
UniProtP41020|URE1_SPOPA Urease subunit alpha (Gene Name=ureC)

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