Structure of PDB 1ef2 Chain A Binding Site BS02

Receptor Information
>1ef2 Chain A (length=566) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNISRQAYADMFGPTVGDKVRLADTELWIEVEDDLTTYGEEVKFGGGKVI
RDGMGQGQMLAADCVDLVLTNALIVDHWGIVKADIGVKDGRIFAIGKAGN
PDIQPNVTIPIGAATEVIAAEGKIVTAGGIDTHIHWICPQQAEEALVSGV
TTMVGGGTGPAAGTHATTCTPGPWYISRMLQAADSLPVNIGLLGKGNVSQ
PDALREQVAAGVIGLKIHEDWGATPAAIDCALTVADEMDIQVALHSDTLN
ESGFVEDTLAAIGGRTIHTFHTEGAGGGHAPDIITACAHPNILPSSTNPT
LPYTLNTIDEHLDMLMVCHHLDPDIAEDVAFAESRIRRETIAAEDVLHDL
GAFSLTSSDSQAMGRVGEVILRTWQVAHRMKVQRGALAEETGDNDNFRVK
RYIAKYTINPALTHGIAHEVGSIEVGKLADLVVWSPAFFGVKPATVIKGG
MIAIAPMGDINASIPTPQPVHYRPMFGALGSARHHCRLTFLSQAAAANGV
AERLNLRSAIAVVKGCRTVQKADMVHNSLQPNITVDAQTYEVRVDGELIT
SEPADVLPMAQRYFLF
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1ef2 Chain A Residue 4775 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ef2 Characterization of metal-substituted Klebsiella aerogenes urease.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H1134 H1136 K1217 D1360
Binding residue
(residue number reindexed from 1)		H133 H135 K216 D359
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H1134 H1136 K1217 H1219 D1221 H1246 H1272 H1320 R1336 D1360
Catalytic site (residue number reindexed from 1) H133 H135 K216 H218 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:1ef2, PDBe:1ef2, PDBj:1ef2
PDBsum1ef2
PubMed10555581
UniProtP18314|URE1_KLEAE Urease subunit alpha (Gene Name=ureC)

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