Structure of PDB 6s8w Chain D Binding Site BS01

Receptor Information
>6s8w Chain D (length=490) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLTIDGIADLRAKSAPIPTGVAPGTSSDMFKSPSCYTKPKAKRWDHYLSE
ESKSRQQSTLKGASLGGGLPSPEYFPFEEISVKVPTPPGFSPHETQESGA
VLTAKKGDVQAGRSLYDLEVALNYGQSTGSPQLLRFVTEHTELIHNPPYA
DWQCCLNAGSTYGWDTVLRMLCTRGDYILMEEYTFSSAKETALPLGVKVA
SVKMDAEGLLPESLDEVLSNWDEASRGSRKPFVLYTIPTGQNPTGATQQL
ERRKAVYKVAQKHDLIIVEDEPYYFLQMQPYPPASHDEFIKSLIPSYLSL
DVDGRVLRLESFSKVLSPGSRTGWIVGPEQLVERFMRNCETGAQHPSGIS
QIVLFKLLDEHWGHSGYLDWLINLRMQYTGRRDAIVNACEKYLPKEIAKW
NPPAAGMFHWIEIDWQKHPAVASGKSREAIEEAVFHAAVNNGVLVSRGSW
FTAANEGNLFFRATFAAASSENIAEAIARFATALRTEFSL
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 chain6s8w Chain D Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6s8w Crystal structure of Aspergillus fumigatus AroH, an aromatic amino acid aminotransferase
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G184 S185 T186 F210 P297 Y298 S345 S347 K348 R355
Binding residue
(residue number reindexed from 1)		G159 S160 T161 F185 P272 Y273 S311 S313 K314 R321
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.-
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:0006571 tyrosine biosynthetic process
GO:0009058 biosynthetic process
GO:0009074 aromatic amino acid family catabolic process
GO:0019878 lysine biosynthetic process via aminoadipic acid
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:6s8w, PDBe:6s8w, PDBj:6s8w
PDBsum6s8w
PubMed
UniProtQ4X0F7

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