Structure of PDB 3meb Chain B Binding Site BS01

Receptor Information
>3meb Chain B (length=426) Species: 184922 (Giardia lamblia ATCC 50803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSVFSGFPASPPDAILNLTVLYNADTNPKKVNLGVGAYRDESGKPWILPA
VKEAEAIISSDLSKYNKEYPPVAGFPLFLEAAQFLMFGKDSKAAQEGRIA
SCQSLSGTGSLHIGFEFLHLWMPKAEFYMPSTTWPNHYGIYDKVFNKLKV
PYKEYTYLRKDGELEIDFSNTKKDIQSAPEKSIFLFHACAHNPSGIDFTE
AQWKELLPIMKEKKHIAFFDSAYQGFATGSFEADAFAVRMFVDAGVEVLV
AQSFSKNFGLYGERIGCLHVVHAGVEGSVEKNKALSAAMVSGMTLQIRKT
WSMSAIHGAYIVQVIVHDKRLLQMFYDNVKEMSARIHRMRSLLHASLAKR
KTPGPGSKGTWDHILTAIGMFTFTGLTPEHVDYLKEKWSIYLVKAGGRMS
MCGLTESNCDYVAEAIHDAVTKLPFK
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 chain3meb Chain B Residue 499 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3meb Structures of aspartate aminotransferases from Trypanosoma brucei, Leishmania major and Giardia lamblia.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S106 G107 T108 W134 D220 A222 Y223 S253 S255 K256 R264
Binding residue
(residue number reindexed from 1)		S106 G107 T108 W134 D220 A222 Y223 S253 S255 K256 R264
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W134 D220 A222 K256
Catalytic site (residue number reindexed from 1) W134 D220 A222 K256
Enzyme Commision number 2.6.1.1: aspartate transaminase.
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
Biological Process
GO:0006520 amino acid metabolic process
GO:0009058 biosynthetic process
Cellular Component
GO:0005739 mitochondrion

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Cellular Component
External links
PDB RCSB:3meb, PDBe:3meb, PDBj:3meb
PDBsum3meb
PubMed25945710
UniProtA8B1V5

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