Structure of PDB 4aoa Chain B Binding Site BS02

Receptor Information
>4aoa Chain B (length=432) Species: 34073 (Variovorax paradoxus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HAAIDQALADAYRRFTDANPASQRQFEAQARYMPGANSRSVLFYAPFPLT
IARGEGAALWDADGHRYADFIAEYTAGVYGHSAPEIRDAVIEAMQGGINL
TGHNLLEGRLARLICERFPQIEQLRFTNSGTEANLMALTAALHFTGRRKI
VVFSGGYHGGVLGFGARPSPTTVPFDFLVLPYNDAQTARAQIERHGPEIA
VVLVEPMQGASGCIPGQPDFLQALRESATQVGALLVFDEVMTSRLAPHGL
ANKLGIRSDLTTLGKYIGGGMSFGAFGGRADVMALFDPRTGPLAHSGTFN
NNVMTMAAGYAGLTKLFTPEAAGALAERGEALRARLNALCANEGVAMQFT
GIGSLMNAHFVQGDVRSSEDLAAVDGRLRQLLFFHLLNEDIYSSPRGFVV
LSLPLTDADIDRYVAAIGSFIGGHGALLPRAN
Ligand information
Ligand IDIK2
InChIInChI=1S/C10H15N2O8P/c1-6-10(15)8(3-12-19-5-9(13)14)7(2-11-6)4-20-21(16,17)18/h2,12,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)
InChIKeyQYKRUCBLHROXCK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CNOCC(O)=O)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CNOCC(=O)O)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O
FormulaC10 H15 N2 O8 P
Name4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE
ChEMBL
DrugBankDB02783
ZINCZINC000002047479
PDB chain4aoa Chain B Residue 1435 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4aoa Biochemical Properties and Crystal Structure of a Beta-Phenylalanine Aminotransferase from Variovorax Paradoxus.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		R41 G132 T133 Y159 H160 E207 D240 V242 M243 K267
Binding residue
(residue number reindexed from 1)		R39 G130 T131 Y157 H158 E205 D238 V240 M241 K265
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N39 Y159 E207 D240 M243 K267 V402
Catalytic site (residue number reindexed from 1) N37 Y157 E205 D238 M241 K265 V400
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding

View graph for
Molecular Function
External links
PDB RCSB:4aoa, PDBe:4aoa, PDBj:4aoa
PDBsum4aoa
PubMed23087034
UniProtH8WR05|BFAT_VARPD Beta-phenylalanine transaminase

[Back to BioLiP]