Structure of PDB 4tm7 Chain A Binding Site BS01

Receptor Information
>4tm7 Chain A (length=243) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDTVIERHADTAALVAAAGDRLVDAISSAIGERGQATIVLTGGGTGIGLL
KRVRERSGEIDWSKVHIYWGDERFVPQDDDERNDKQAREALLDHIGIPPV
NVHAMAASDGEFGDDLEAAAAGYAQLLSADFDSSVPGFDVHLLGMGGEGH
VNSLFPDTDAVRETERLVVGVSDSPKPPPRRITLTLPAVQNSREVWLVVS
GEAKADAVAAAVGGADPVDIPAAGAVGRERTVWLVDEAAAAKL
Ligand information
Ligand IDCU1
InChIInChI=1S/Cu/q+1
InChIKeyVMQMZMRVKUZKQL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cu+]
FormulaCu
NameCOPPER (I) ION
ChEMBL
DrugBank
ZINC
PDB chain4tm7 Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4tm7 Enzyme repurposing of a hydrolase as an emergent peroxidase upon metal binding.
Resolution1.39 Å
Binding residue
(original residue number in PDB)		H67 H104
Binding residue
(residue number reindexed from 1)		H66 H103
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.31: 6-phosphogluconolactonase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0017057 6-phosphogluconolactonase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006098 pentose-phosphate shunt

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Molecular Function
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Biological Process
External links
PDB RCSB:4tm7, PDBe:4tm7, PDBj:4tm7
PDBsum4tm7
PubMed29218172
UniProtA0QWX6

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