Structure of PDB 1kfi Chain B Binding Site BS02

Receptor Information
>1kfi Chain B (length=570) Species: 5888 (Paramecium tetraurelia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVIPAPRVQVTQPYAGQKPGTSGLRKKVSEATQPNYLENFVQSIFNTLRK
DELKPKNVLFVGGDGRYFNRQAIFSIIRLAYANDISEVHVGQAGLMSTPA
SSHYIRKVNEEVGNCIGGIILTASHNPGGKEHGDFGIKFNVRTGAPAPED
FTDQIYTHTTKIKEYLTVDYEFEKHINLDQIGVYKFEGTRLEKSHFEVKV
VDTVQDYTQLMQKLFDFDLLKGLFSNKDFSFRFDGMHGVAGPYAKHIFGT
LLGCSKESLLNCDPSEDFGGGHPDPNLTYAHDLVELLDIHKKKDVGTVPQ
FGAACDGDADRNMILGRQFFVTPSDSLAVIAANANLIFKNGLLGAARSMP
TSGALDKVAAKNGIKLFETPTGWKFFGNLMDAGLINLCGEESFGTGSNHI
REKDGIWAVLAWLTILAHKNKNTDHFVTVEEIVTQYWQQFGRNYYSRYDY
EQVDSAGANKMMEHLKTKFQYFEQLKQGNKADIYDYVDPVDQSVSKNQGV
RFVFGDGSRIIFRLSGTGSVGATIRIYFEQFEQQQIQHETATALANIIKL
GLEISDIAQFTGRNEPTVIT
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1kfi Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kfi 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 H127 D312 R313 W375
Binding residue
(residue number reindexed from 1)		S124 H125 D310 R311 W373
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) S124 H125 D306 D308 D310 R311 K403
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1kfi, PDBe:1kfi, PDBj:1kfi
PDBsum1kfi
PubMed11779235
UniProtP47244|PGM1_PARTE Phosphoglucomutase-1 (Gene Name=pp63-1)

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