Structure of PDB 6hnd Chain B Binding Site BS01

Receptor Information
>6hnd Chain B (length=470) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDPTHLISKRAAGRTSVPSDKPPANFKPHEKPLALSYGMPNHGFFPIDSI
DVNLVDYPFQKIHTPQSTVHISRHTTDPKLIDLARGLQYAAVEGHAPLLQ
FARDFIIRTHKPNYDDWNVFITTGASDGLNKAADVFLDDGDVILVEEFTF
SPFLRFSDNAGAKAVPVKINFDNDSDGIDLTQFVDLLENWEKHYPNLPKP
KALYTIATGQNPTGFTQSLEFRKKIYDLAVKYDFAIIEDDPYGYLTLPKY
EKPNDLEIDDYLKNHLTPSYLELDTTGRVLRVETFSKLFAPGLRLGFIVG
HKEVIDAVKNYSDVVNRGASGLTQTIVNNVIQENFKGVDGWLEWILKMRL
NYSYRKDLLLYSIFESQAYKKGYVDVIDPKAGMFVTFKINLPKDVDVLQK
MKLLLWKLISYGILVVPGYNMTVDLEFSKDRSNFFRLCYALANNDEEILE
SGKRLTDAVYEFFSNGLEFH
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain6hnd Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6hnd Crystal structures of aminotransferases Aro8 and Aro9 from Candida albicans and structural insights into their properties.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		A166 S167 F191 I247 N252 D280 P282 Y283 T338 S340 K341 R348
Binding residue
(residue number reindexed from 1)		A125 S126 F150 I206 N211 D239 P241 Y242 T284 S286 K287 R294
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0008793 aromatic-amino-acid transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0047536 2-aminoadipate transaminase activity
Biological Process
GO:0000949 aromatic amino acid family catabolic process to alcohol via Ehrlich pathway
GO:0006571 tyrosine biosynthetic process
GO:0008643 carbohydrate transport
GO:0009058 biosynthetic process
GO:0009072 aromatic amino acid metabolic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0009074 aromatic amino acid family catabolic process
GO:0009094 L-phenylalanine biosynthetic process
GO:0019477 L-lysine catabolic process
GO:0019878 lysine biosynthetic process via aminoadipic acid
GO:0045454 cell redox homeostasis
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6hnd, PDBe:6hnd, PDBj:6hnd
PDBsum6hnd
PubMed30742897
UniProtA0A1D8PMC5

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