Structure of PDB 7tl8 Chain A Binding Site BS02

Receptor Information
>7tl8 Chain A (length=488) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKKPTALIILDGFANRESEHGNAVKLANKPNFDRYYNKYPTTQIEASGL
DVGLPEGQMGNSEVGHMNIGAGRIVYQSLTRINKSIEDGDFFENDVLNNA
IAHVNSHDLHIFGLLSDGGVHSHYKHLFALLELAKKQGVEKVYVHAFLDG
RDVDQKSALKYIEETEAKFNELGIGQFASVSGRYYAMDRDKRWEREEKAY
NAINFDAPTYATAKEGVEASYNEGLTDEFVVPFIVENQNDGVVIFYNFRP
DRAAQLSEIFANQVKDLFYATFTKYNDNIDAAIVFEKVDLNNTIGEIAQN
NNLTQLRIAETEKYPHVTYFMSGGRNEEFKGERRRLIDSPKVATYDLKPE
MSAYEVKDALLEELNKGDLDLIILNFANPDMVGHSGMLEPTIKAIEAVDE
CLGEVVDKILDMDGYAIITADHGNSDQVLTDDDQPMTTHTTNPVPVIVTK
EGVTLRETGRLGDLAPTLLDLLNVEQPEDMTGESLIKH
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 chain7tl8 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7tl8 Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D12 S62 D438 H439
Binding residue
(residue number reindexed from 1)		D12 S62 D421 H422
Annotation score1
Enzymatic activity
Enzyme Commision number 5.4.2.12: phosphoglycerate mutase (2,3-diphosphoglycerate-independent).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004619 phosphoglycerate mutase activity
GO:0016853 isomerase activity
GO:0030145 manganese ion binding
GO:0046537 2,3-bisphosphoglycerate-independent phosphoglycerate mutase activity
GO:0046872 metal ion binding
Biological Process
GO:0006007 glucose catabolic process
GO:0006096 glycolytic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7tl8, PDBe:7tl8, PDBj:7tl8
PDBsum7tl8
PubMed35904259
UniProtQ5HHP2|GPMI_STAAC 2,3-bisphosphoglycerate-independent phosphoglycerate mutase (Gene Name=gpmI)

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