Structure of PDB 7tbv Chain C Binding Site BS01

Receptor Information
>7tbv Chain C (length=678) Species: 1165368 (Candida albicans Ca6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDKSIIVIGMRGTGKSTLSEWLASFLGFKMLDMDKYLEEKLGTGIKSLIK
AKGWEYFRQEEAIVAKECFTKFSKGYVLSTGGGIVEGEDARQQLKSYADN
GGIVLHLHRDSSEVQEVWLRREKWYHECSNYHFYSSHCSTEDEFNHLRRS
FVNYIKLITGAERPVVPVGRSAAVVLTSPDLNEVVRDLESITIGADAVEL
RVDLFKDTSAEFVAAQIAVIRKHADLPIIYTVRTMSQGGKFPDENVDELK
SLLLLGIRLGVAYVDLQLTAPNELIEEISSKKGFTRVIGTYQDINGELKW
NNVEWKNKYNQGVSMNADIVRLVGKANSIQDNLDLENFKKQNTLKPLIAF
NLGSQGKLSQVLNGTFTPISHKLLPNDEGFLTIGELNQTYFDIGGFTAKK
FWVIGSPIEHSRSPNLHNAGYKALNLPYQFGRFEATDVDVVYDNLINKPD
FGGLAITMPLKLDIMKFATKLSDAAETIGAVNTLIPIEGGYFGDNTDWVG
ISNSFIRAGVPPKLSSNGLVVGTGGTSRAAIYALHQMGCAKIYLVNRTAA
KLEELVKSFPKDYNLEIVETEQQADKASKVLLVVSCIPADKPLDGEVLKK
IERILSNGSEQSAGFKPTLLEASYKPRVTPIMKLAEEQYKWKVIPGVEML
VNQGDRQFKLHTGFIAPYEIIHRALLEE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7tbv Chain C Residue 1601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7tbv Molecular analysis and essentiality of Aro1 shikimate biosynthesis multi-enzyme in Candida albicans.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G1169 L1171 K1198
Binding residue
(residue number reindexed from 1)		G296 L298 K325
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.25: shikimate dehydrogenase (NADP(+)).
2.5.1.19: 3-phosphoshikimate 1-carboxyvinyltransferase.
2.7.1.71: shikimate kinase.
4.2.1.10: 3-dehydroquinate dehydratase.
4.2.3.4: 3-dehydroquinate synthase.
Gene Ontology
Molecular Function
GO:0003855 3-dehydroquinate dehydratase activity
GO:0004764 shikimate 3-dehydrogenase (NADP+) activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7tbv, PDBe:7tbv, PDBj:7tbv
PDBsum7tbv
PubMed35512834
UniProtQ5AME2|ARO1_CANAL Pentafunctional AROM polypeptide (Gene Name=ARO1)

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