Structure of PDB 4w5k Chain A Binding Site BS01

Receptor Information
>4w5k Chain A (length=380) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLGQDFRMDPAKRKVNLSIGVYRDDADQPFVLECVKQATLGTNMDYAPVT
GIASFVEEAQKLCFGPTCAALRDGRIASCQTLGGTGALRIGGDLLNRFVA
NCNRIYGPDVGYPNHESIFAKAGMELTPYSYYDPATKGLNLAGMLECLDK
APEGSVILVHACAHNPTGVDPTHDDWRQVCDVIKRRNHIPFVDMAYQGFA
TGQLDYDAFVPRHLVDMVPNLIVAQSFSANFGLYGHRCGALHISTASAEE
AKRLVSQLALLIRPMYSNPPLYGAWVVSSILKDPQLTALWKKELKQMSSR
IAEVRKRLVSELKACGSVHDWSHIERQVGMMAYTGLTREQVELLRSEYHI
YMTLNGRAAVSGLNSTNVEYVSQAIHNVTK
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 chain4w5k Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4w5k Structures of aspartate aminotransferases from Trypanosoma brucei, Leishmania major and Giardia lamblia.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G91 G92 T93 Y120 N173 D201 A203 Y204 S234 S236 R245
Binding residue
(residue number reindexed from 1)		G83 G84 T85 Y112 N165 D193 A195 Y196 S226 S228 R237
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.1: aspartate transaminase.
Gene Ontology
Molecular Function
GO:0004021 L-alanine:2-oxoglutarate aminotransferase activity
GO:0004069 L-aspartate:2-oxoglutarate aminotransferase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0009058 biosynthetic process
GO:0019509 L-methionine salvage from methylthioadenosine
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0031981 nuclear lumen
GO:0097014 ciliary plasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4w5k, PDBe:4w5k, PDBj:4w5k
PDBsum4w5k
PubMed25945710
UniProtQ385Q9

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