Structure of PDB 1ejs Chain C Binding Site BS01

Receptor Information
>1ejs Chain C (length=566) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNISRQAYADMFGPTVGDKVRLADTELWIEVEDDLTTYGEEVKFGGGKVI
RDGMGQGQMLAADCVDLVLTNALIVDHWGIVKADIGVKDGRIFAIGKAGN
PDIQPNVTIPIGAATEVIAAEGKIVTAGGIDTHIHWICPQQAEEALVSGV
TTMVGGGTGPAAGTHATTCTPGPWYISRMLQAADSLPVNIGLLGKGNVSQ
PDALREQVAAGVIGLKINEDWGATPAAIDCALTVADEMDIQVALHSDTLN
ESGFVEDTLAAIGGRTIHTFHTEGAGGGHAPDIITACAHPNILPSSTNPT
LPYTLNTIDEHLDMLMVCHHLDPDIAEDVAFAESRIRRETIAAEDVLHDL
GAFSLTSSDSQAMGRVGEVILRTWQVAHRMKVQRGALAEETGDNDNFRVK
RYIAKYTINPALTHGIAHEVGSIEVGKLADLVVWSPAFFGVKPATVIKGG
MIAIAPMGDINASIPTPQPVHYRPMFGALGSARHHCRLTFLSQAAAANGV
AERLNLRSAIAVVKGCRTVQKADMVHNSLQPNITVDAQTYEVRVDGELIT
SEPADVLPMAQRYFLF
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 chain1ejs Chain C Residue 4774 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ejs Kinetic and structural characterization of urease active site variants.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K1217 H1246 H1272
Binding residue
(residue number reindexed from 1)		K216 H245 H271
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H1134 H1136 K1217 N1219 D1221 H1246 H1272 H1320 R1336 D1360
Catalytic site (residue number reindexed from 1) H133 H135 K216 N218 D220 H245 H271 H319 R335 D359
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:1ejs, PDBe:1ejs, PDBj:1ejs
PDBsum1ejs
PubMed10913264
UniProtP18314|URE1_KLEAE Urease subunit alpha (Gene Name=ureC)

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