Structure of PDB 8q2e Chain C Binding Site BS01

Receptor Information
>8q2e Chain C (length=570) 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
TNPTRPFTVNTIDEHLDMLMVCHHLKQNIPEDVAFADSRIRPETIAAEDI
LHDLGIISMMSTDALAMGRAGEMVLRTWQTADKMKKQRGPLAEEKNGSDN
FRAKRYVSKYTINPAIAQGIAHEVGSIEEGKFADLVLWEPKFFGVKADRV
IKGGIIAYAQIGDPSASIPTPQPVMGRRMYGTVGDLIHDTNITFMSKSSI
QQGVPAKLGLKRRIGTVKNCRNIGKKDMKWNDVTTDIDINPETYEVKVDG
EVLTCEPVKELPMAQRYFLF
Ligand information
Ligand IDIS9
InChIInChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)
InChIKeyMZGNSEAPZQGJRB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)C(S)=S
OpenEye OEToolkits 2.0.7CN(C)C(=S)S
FormulaC3 H7 N S2
Namedimethylcarbamodithioic acid
ChEMBLCHEMBL1208358
DrugBank
ZINCZINC000001693329
PDB chain8q2e Chain C Residue 2313 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8q2e Kinetic and structural details of urease inactivation by thiuram disulphides.
Resolution1.68 Å
Binding residue
(original residue number in PDB)		V321 C322
Binding residue
(residue number reindexed from 1)		V321 C322
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:8q2e, PDBe:8q2e, PDBj:8q2e
PDBsum8q2e
PubMed37879152
UniProtP41020|URE1_SPOPA Urease subunit alpha (Gene Name=ureC)

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