Structure of PDB 7pjc Chain A Binding Site BS01

Receptor Information
>7pjc Chain A (length=549) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIKTIETPFQDQKPGTSGLRKKVTVFQQPHYTENFIQSILDAIPEGSQGS
TLVIGGDGRFYNDVVIQLIIKIAAANGVKKLILGQNGILSTPATSHVIRI
KQATGGIILTASHNPGGPQNDLGIKYNLGNGGPAPESVTNKIYEISKQIQ
YKLIELPNVDLSKIGTIVEGPIEIEIIDSTKDYVDMSKSIFDFPLIKSFI
DKATKEQDFKVLFDALNGVTGPYGYEIFVNELGLPESSIQNYKPLPDFGG
LHPDPNLTYAHTLVERVDKENIAFGAASDGDGDRNMIYGAGTFVSPGDSV
AIISEYADSIPYFQKQGVYGLARSMPTSGAIDLVAANKNLQCYEVPTGWK
FFCSLFDAKKLSICGEESFGTGSNHIREKDGLWAIVAWLNVLAGYNKQNP
QSKTSIEIVQNSFWEKYGRTFFTRYDYENVSSEGAQKLIDLLQSIVNEKS
VGDELAPGYIIKQADNFSYTDLDGSVSSNQGLFIKFDNGLRFIVRLSGAT
VRLYLEKHCDDKSKYHLKVDEYLTNEIQFVLELLKFKQFLNKEEPDVRT
Ligand information
Ligand IDA4W
InChIInChI=1S/C9H9ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14/h1-3,14H,4-5H2,(H,12,13)
InChIKeyFJMFVECBBBBHPH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)Cl)F)NC(=O)CCS
CACTVS 3.385Fc1c(Cl)cccc1NC(=O)CCS
FormulaC9 H9 Cl F N O S
Name~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide
ChEMBL
DrugBank
ZINC
PDB chain7pjc Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pjc Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
Resolution2.11 Å
Binding residue
(original residue number in PDB)		F358 C359 F362 C370 G378 R383 E384 K385
Binding residue
(residue number reindexed from 1)		F352 C353 F356 C364 G372 R377 E378 K379
Annotation score1
Enzymatic activity
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
GO:0006508 proteolysis
GO:0008643 carbohydrate transport
GO:0034727 piecemeal microautophagy of the nucleus
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7pjc, PDBe:7pjc, PDBj:7pjc
PDBsum7pjc
PubMed
UniProtA0A1D8PSA9

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