Structure of PDB 4nwj Chain A Binding Site BS01

Receptor Information
>4nwj Chain A (length=504) Species: 93061 (Staphylococcus aureus subsp. aureus NCTC 8325) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKKPTALIILDGFANRESEHGNAVKLANKPNFDRYYNKYPTTQIEASGLD
VGLPEGQMGNSEVGHMNIGAGRIVYQSLTRINKSIEDGDFFENDVLNNAI
AHVNSHDSALHIFGLLSDGGVHSHYKHLFALLELAKKQGVEKVYVHAFLD
GRDVDQKSALKYIEETEAKFNELGIGQFASVSGRYYAMDRDKRWEREEKA
YNAIRNFDAPTYATAKEGVEASYNEGLTDEFVVPFIVENQNDGVNDGDAV
IFYNFRPDRAAQLSEIFANRAFEGFKVEQVKDLFYATFTKYNDNIDAAIV
FEKVDLNNTIGEIAQNNNLTQLRIAETEKYPHVTYFMSGGRNEEFKGERR
RLIDSPKVATYDLKPEMSAYEVKDALLEELNKGDLDLIILNFANPDMVGH
SGMLEPTIKAIEAVDECLGEVVDKILDMDGYAIITADHGNSDQVLTDDDQ
PMTTHTTNPVPVIVTKEGVTLRETGRLGDLAPTLLDLLNVEQPEDMTGES
LIKH
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 chain4nwj 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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PDB4nwj Complete catalytic cycle of cofactor-independent phosphoglycerate mutase involves a spring-loaded mechanism
Resolution2.01 Å
Binding residue
(original residue number in PDB)		D397 H401 H456
Binding residue
(residue number reindexed from 1)		D396 H400 H455
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D12 S62 D154 R257 K330 D397 H401 D438 H439 H456
Catalytic site (residue number reindexed from 1) D11 S61 D153 R256 K329 D396 H400 D437 H438 H455
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:0005975 carbohydrate metabolic 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:4nwj, PDBe:4nwj, PDBj:4nwj
PDBsum4nwj
PubMed25611430
UniProtQ2G029

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