Structure of PDB 1ejr Chain C Binding Site BS02

Receptor Information
>1ejr Chain C (length=553) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNISRQAYADMFGPTVGDKVRLADTELWIEVEDDLTTYGEEVKFGGGKVI
RDGMGQGQMLAADCVDLVLTNALIVDHWGIVKADIGVKDGRIFAIGKAGN
PDIQPNVTIPIGAATEVIAAEGKIVTAGGIDTHIHWICPQQAEEALVSGV
TTMVGGGTGPAAGTHATTCTPGPWYISRMLQAADSLPVNIGLLGKGNVSQ
PDALREQVAAGVIGLKIHEAWGATPAAIDCALTVADEMDIQVALHSDTLN
ESGFVEDTLAAIGGRTIHTFHTEGAGGGHAPDIITACAHPNILPSSTNPT
LPYTLNTIDEHLDMLMAFAESRIRRETIAAEDVLHDLGAFSLTSSDSQAM
GRVGEVILRTWQVAHRMKVQRGALAEETGDNDNFRVKRYIAKYTINPALT
HGIAHEVGSIEVGKLADLVVWSPAFFGVKPATVIKGGMIAIAPMGDINAS
IPTPQPVHYRPMFGALGSARHHCRLTFLSQAAAANGVAERLNLRSAIAVV
KGCRTVQKADMVHNSLQPNITVDAQTYEVRVDGELITSEPADVLPMAQRY
FLF
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain1ejr Chain C Residue 4775 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ejr Kinetic and structural characterization of urease active site variants.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H1134 H1136 K1217 D1360
Binding residue
(residue number reindexed from 1)		H133 H135 K216 D346
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H1134 H1136 K1217 H1219 A1221 H1246 H1272 R1336 D1360
Catalytic site (residue number reindexed from 1) H133 H135 K216 H218 A220 H245 H271 R322 D346
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ejr, PDBe:1ejr, PDBj:1ejr
PDBsum1ejr
PubMed10913264
UniProtP18314|URE1_KLEAE Urease subunit alpha (Gene Name=ureC)

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