Structure of PDB 1a5n Chain C Binding Site BS03

Receptor Information
>1a5n Chain C (length=551) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNISRQAYADMFGPTVGDKVRLADTELWIEVEDDLTTYGEEVKFGGGKVI
RDGMGQGQMLAADCVDLVLTNALIVDHWGIVKADIGVKDGRIFAIGKAGN
PDIQPNVTIPIGAATEVIAAEGKIVTAGGIDTHIHWICPQQAEEALVSGV
TTMVGGGTGPAAGTHATTCTPGPWYISRMLQAADSLPVNIGLLGKGNVSQ
PDALREQVAAGVIGLAIHEDWGATPAAIDCALTVADEMDIQVALHSDTLN
ESGFVEDTLAAIGGRTIHTFHTEGAGGGHAPDIITACAHPNILPSSTNPT
LPYTLNTIDEHLDMAFAESRIRRETIAAEDVLHDLGAFSLTSSDSQAMGR
VGEVILRTWQVAHRMKVQRGALAEETGDNDNFRVKRYIAKYTINPALTHG
IAHEVGSIEVGKLADLVVWSPAFFGVKPATVIKGGMIAIAPMGDINASIP
TPQPVHYRPMFGALGSARHHCRLTFLSQAAAANGVAERLNLRSAIAVVKG
CRTVQKADMVHNSLQPNITVDAQTYEVRVDGELITSEPADVLPMAQRYFL
F
Ligand information
Ligand IDFMT
InChIInChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChIKeyBDAGIHXWWSANSR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(=O)O
CACTVS 3.352OC=O
ACDLabs 11.02O=CO
FormulaC H2 O2
NameFORMIC ACID
ChEMBLCHEMBL116736
DrugBankDB01942
ZINC
PDB chain1a5n Chain C Residue 999 [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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PDB1a5n Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H134 H136 T169 H219 H246 F271
Binding residue
(residue number reindexed from 1)		H133 H135 T168 H218 H245 F270
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H134 H136 A217 H219 D221 H246 H272 R336 D360
Catalytic site (residue number reindexed from 1) H133 H135 A216 H218 D220 H245 H271 R320 D344
Enzyme Commision number 3.5.1.5: urease.
Gene Ontology
Molecular Function
GO:0005515 protein binding
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1a5n, PDBe:1a5n, PDBj:1a5n
PDBsum1a5n
PubMed9558361
UniProtP18314|URE1_KLEAE Urease subunit alpha (Gene Name=ureC)

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