Structure of PDB 7p7i Chain BBB Binding Site BS01

Receptor Information
>7p7i Chain BBB (length=305) Species: 559292,1315976 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGTMYYGFDIGGTKIEFGAFDADLVRVARERVATPTESYAAFLDAIVTLV
NNADAEFGVKGTVGIGIPGIADVETGKLLTSNIPAAMGHTLQRDLEERLQ
RPVKIENDANCFALSEAWDEDLRGEPSVLGLILGTGVGGGLIFNGKVHSG
RANIAGEIGHTRLPYDALKLLGMENAPIFPCGCKNSGCIDNYLSGRGFEQ
LYDHYFSEKLSAPEIIAHYEQGERRAVQHVERFMELLAICLANIFTCLDP
HVVVLGGGLSNFELIYQELPKRLPAHLLHVAKLPKIIKARHGDAGGVRGA
AFLNL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7p7i Chain BBB Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p7i Structure and function of N-acetylglucosamine kinase illuminates the catalytic mechanism of ROK kinases
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H157 C178 C180 C185
Binding residue
(residue number reindexed from 1)		H160 C181 C183 C188
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.59: N-acetylglucosamine kinase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016301 kinase activity
GO:0031386 protein tag activity
GO:0042802 identical protein binding
GO:0044389 ubiquitin-like protein ligase binding
GO:0045127 N-acetylglucosamine kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006044 N-acetylglucosamine metabolic process
GO:0009254 peptidoglycan turnover
GO:0016310 phosphorylation
GO:0016925 protein sumoylation
GO:0046835 carbohydrate phosphorylation
Cellular Component
GO:0000794 condensed nuclear chromosome
GO:0005634 nucleus
GO:0005940 septin ring

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7p7i, PDBe:7p7i, PDBj:7p7i
PDBsum7p7i
PubMed
UniProtQ12306|SMT3_YEAST Ubiquitin-like protein SMT3 (Gene Name=SMT3);
R8APY9

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