Structure of PDB 2ify Chain A Binding Site BS01

Receptor Information
>2ify Chain A (length=508) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKPTALIILDGFGLREETYGNAVAQAKKPNFDGYWNKFPHTTLTACGEAV
GLPEGQMGNSEVGHLNIGAGRIVYQSLTRVNVAIREGEFDKNETFQSAIK
SVKEKGTALHLFGLLSDGGVHSHMNHMFALLRLAAKEGVEKVYIHAFLDG
RDVGPKTAQSYIDATNEVIKETGVGQFATISGRYYSMDRDKRWDRVEKCY
RAMVNGEGPTYKSAEECVEDSYANGIYDEFVLPSVIVNEDNTPVATINDD
DAVIFYNFRPDRAIQIARVFTNGDFREFDRGEKVPHIPEFVCMTHFSETV
DGYVAFKPMNLDNTLGEVVAQAGLKQLRIAETEKYPHVTFFFSGGREAEF
PGEERILINSPKVATYDLKPEMSIYEVTDALVNEIENDKHDVIILNFANC
DMVGHSGMMEPTIKAVEATDECLGKVVEAILAKDGVALITADHGNADEEL
TSEGEPMTAHTTNPVPFIVTKNDVELREDGILGDIAPTMLTLLGVEQPKE
MTGKTIIK
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 chain2ify 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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PDB2ify Structure and Molecular Mechanism of Bacillus anthracis Cofactor-Independent Phosphoglycerate Mutase: A Crucial Enzyme for Spores and Growing Cells of Bacillus Species.
Resolution2.38 Å
Binding residue
(original residue number in PDB)		D402 H406 H461
Binding residue
(residue number reindexed from 1)		D401 H405 H460
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D11 S61 D153 R260 K335 D402 H406 D443 H444 H461
Catalytic site (residue number reindexed from 1) D10 S60 D152 R259 K334 D401 H405 D442 H443 H460
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
GO:0030435 sporulation resulting in formation of a cellular spore
GO:0043937 regulation of sporulation
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:2ify, PDBe:2ify, PDBj:2ify
PDBsum2ify
PubMed17085493
UniProtQ81X77|GPMI_BACAN 2,3-bisphosphoglycerate-independent phosphoglycerate mutase (Gene Name=gpmI)

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