Structure of PDB 6lnk Chain A Binding Site BS01

Receptor Information
>6lnk Chain A (length=336) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPAVLSKSGVIYGKDVKDLFDYAQEKGFAIPAINVTSSSTVVAALEAARD
NKAPIILQTSQGGAAYFAGKGVDNKDQAASIAGSIAAAHYIRAIAPTYGI
PVVLHTDHCAKKLLPWFDGMLKADEEFFAKTGTPLFSSHMLDLSEETDDE
NIATCAKYFERMAKMGQWLEMEIGITGGLYTSPETVFAVYESLHKISPNF
SIAAAFGNVHVQLRPEILGDHQVYAKKQIGTDAKHPLYLVFHGGSGSTQE
EFNTAIKNGVVKVNLDTDCQYAYLTGIRDYVTNKIEYLKAPVGNPEGADK
PNKKYFDPRVWVREGEKTMSKRIAEALDIFHTKGQL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6lnk Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6lnk Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
Resolution2.639 Å
Binding residue
(original residue number in PDB)		H109 E173 H225 H264
Binding residue
(residue number reindexed from 1)		H108 E172 H210 H242
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D108 H109 H225 H264 N286
Catalytic site (residue number reindexed from 1) D107 H108 H210 H242 N264
Enzyme Commision number 4.1.2.13: fructose-bisphosphate aldolase.
Gene Ontology
Molecular Function
GO:0004332 fructose-bisphosphate aldolase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0016832 aldehyde-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0051701 biological process involved in interaction with host
GO:0052553 symbiont-mediated perturbation of host immune response
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009277 fungal-type cell wall
GO:0009986 cell surface
GO:0030446 hyphal cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6lnk, PDBe:6lnk, PDBj:6lnk
PDBsum6lnk
PubMed
UniProtQ9URB4|ALF_CANAL Fructose-bisphosphate aldolase (Gene Name=FBA1)

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