Structure of PDB 1kfq Chain A Binding Site BS01

Receptor Information
>1kfq Chain A (length=571) Species: 5888 (Paramecium tetraurelia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQVIPAPRVQVTQPYAGQKPGTSGLRKKVSEATQPNYLENFVQSIFNTLR
KDELKPKNVLFVGGDGRYFNRQAIFSIIRLAYANDISEVHVGQAGLMSTP
ASSHYIRKVNEEVGNCIGGIILTASHNPGGKEHGDFGIKFNVRTGAPAPE
DFTDQIYTHTTKIKEYLTVDYEFEKHINLDQIGVYKFEGTRLEKSHFEVK
VVDTVQDYTQLMQKLFDFDLLKGLFSNKDFSFRFDGMHGVAGPYAKHIFG
TLLGCSKESLLNCDPSEDFGGGHPDPNLTYAHDLVELLDIHKKKDVGTVP
QFGAACDGDADRNMILGRQFFVTPSDSLAVIAANANLIFKNGLLGAARSM
PTSGALDKVAAKNGIKLFETPTGWKFFGNLMDAGLINLCGEESFGTGSNH
IREKDGIWAVLAWLTILAHKNKNTDHFVTVEEIVTQYWQQFGRNYYSRYD
YEQVDSAGANKMMEHLKTKFQYFEQLKQGNKADIYDYVDPVDQSVSKNQG
VRFVFGDGSRIIFRLSGTGSVGATIRIYFEQFEQQQIQHETATALANIIK
LGLEISDIAQFTGRNEPTVIT
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1kfq Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kfq Crystal structure analysis of the exocytosis-sensitive phosphoprotein, pp63/parafusin (phosphoglucomutase), from Paramecium reveals significant conformational variability.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S126 D308 D310 D312
Binding residue
(residue number reindexed from 1)		S125 D307 D309 D311
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S126 H127 D308 D310 D312 R313 K405
Catalytic site (residue number reindexed from 1) S125 H126 D307 D309 D311 R312 K404
Enzyme Commision number 5.4.2.2: phosphoglucomutase (alpha-D-glucose-1,6-bisphosphate-dependent).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004614 phosphoglucomutase activity
GO:0016853 isomerase activity
GO:0016868 intramolecular phosphotransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic 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:1kfq, PDBe:1kfq, PDBj:1kfq
PDBsum1kfq
PubMed11779235
UniProtP47244|PGM1_PARTE Phosphoglucomutase-1 (Gene Name=pp63-1)

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