Structure of PDB 7q8e Chain C Binding Site BS01

Receptor Information
>7q8e Chain C (length=397) Species: 93062 (Staphylococcus aureus subsp. aureus COL) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DILRKLAEQVDDIVFISGTNGKTTTSNLIGHTLKANNIQIIHNNEGANMA
AGITSAFIMQSTPKTKIAVIEIDEGSIPRVLKEVTPSMMVFTNFFRDQMD
RFGEIDIMVNNIAETISNKGIKLLLNADDPFVSRLKIASDTIVYYGMKAH
AHEFEQSTMNESRYCPNCGRLLQYDYIHYNQIGHYHCQCGFKREQAKYEI
SSFDVAPFLYLNINDEKYDMKIAGDFNAYNALAAYTVLRELGLNEQTIKN
GFETYTSDNGRMQYFKKERKEAMINLAKNPAGMNASLSVGEQLEGEKVYV
ISLNDNAADGRDTSWIYDADFEKLSKQQIEAIIVTGTRAEELQLRLKLAE
VEVPIIVERDIYKATAKTMDYKGFTVAIPNYTSLAPMLEQLNRSFEG
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 chain7q8e Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q8e Crystal Structure of the MurT-GatD Enzyme Complex from Staphylococcus aureus COL strain
Resolution2.90002 Å
Binding residue
(original residue number in PDB)		C202 C224 C226
Binding residue
(residue number reindexed from 1)		C165 C187 C189
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.5.13: lipid II isoglutaminyl synthase (glutamine-hydrolyzing).
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016874 ligase activity
GO:0016879 ligase activity, forming carbon-nitrogen bonds
GO:0016881 acid-amino acid ligase activity
GO:0046872 metal ion binding
GO:0140282 carbon-nitrogen ligase activity on lipid II
Biological Process
GO:0008360 regulation of cell shape
GO:0009058 biosynthetic process
GO:0009252 peptidoglycan biosynthetic process
GO:0071555 cell wall organization

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Molecular Function
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Biological Process
External links
PDB RCSB:7q8e, PDBe:7q8e, PDBj:7q8e
PDBsum7q8e
PubMed
UniProtA0A0H2WZQ7|MURT_STAAC Lipid II isoglutaminyl synthase (glutamine-hydrolyzing) subunit MurT (Gene Name=murT)

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