Structure of PDB 6f77 Chain E Binding Site BS01

Receptor Information
>6f77 Chain E (length=399) Species: 266834 (Sinorhizobium meliloti 1021) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFLADALSRVKPSATIAVSQKARELKAKGRDVIGLGAGEPDFDTPDNIKK
AAIDAIDRGETKYTPVSGIPELREAIAKKFKRENNLDYTAAQTIVGTGGK
QILFNAFMATLNPGDEVVIPAPYWVSYPEMVALCGGTPVFVPTRQENNFK
LKAEDLDRAITPKTKWFVFNSPSNPSGAAYSHEELKALTDVLMKHPHVWV
LTDDMYEHLTYGDFRFATPVEVEPGLYERTLTMNGVSKAYAMTGWRIGYA
AGPLHLIKAMDMIQGQQTSGAASIAQWAAVEALNGPQDFIGRNKEIFQGR
RDLVVSMLNQAKGISCPTPEGAFYVYPSCAGLIGKTAPSGKVIETDEDFV
SELLETEGVAVVHGSAFGLGPNFRISYATSEALLEEACRRIQRFCAACR
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 chain6f77 Chain E Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6f77 Tyrosine metabolism: identification of a key residue in the acquisition of prephenate aminotransferase activity by 1 beta aspartate aminotransferase.
Resolution1.794 Å
Binding residue
(original residue number in PDB)		G100 K101 W125 N171 N175 D204 M206 Y207 S239 K240 R248
Binding residue
(residue number reindexed from 1)		G99 K100 W124 N170 N174 D203 M205 Y206 S237 K238 R246
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.1: aspartate transaminase.
2.6.1.79: glutamate--prephenate aminotransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004069 L-aspartate:2-oxoglutarate aminotransferase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0033854 glutamate-prephenate aminotransferase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0009058 biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6f77, PDBe:6f77, PDBj:6f77
PDBsum6f77
PubMed30771275
UniProtQ02635|AAPAT_RHIME Aspartate/prephenate aminotransferase (Gene Name=aatA)

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