Structure of PDB 4aoa Chain A Binding Site BS01

Receptor Information
>4aoa Chain A (length=430) Species: 34073 (Variovorax paradoxus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIDQALADAYRRFTDANPASQRQFEAQARYMPGANSRSVLFYAPFPLTIA
RGEGAALWDADGHRYADFIAEYTAGVYGHSAPEIRDAVIEAMQGGINLTG
HNLLEGRLARLICERFPQIEQLRFTNSGTEANLMALTAALHFTGRRKIVV
FSGGYHGGVLGFGARPSPTTVPFDFLVLPYNDAQTARAQIERHGPEIAVV
LVEPMQGASGCIPGQPDFLQALRESATQVGALLVFDEVMTSRLAPHGLAN
KLGIRSDLTTLGKYIGGGMSFGAFGGRADVMALFDPRTGPLAHSGTFNNN
VMTMAAGYAGLTKLFTPEAAGALAERGEALRARLNALCANEGVAMQFTGI
GSLMNAHFVQGDVRSSEDLAAVDGRLRQLLFFHLLNEDIYSSPRGFVVLS
LPLTDADIDRYVAAIGSFIGGHGALLPRAN
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 A 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 V43 S131 G132 T133 Y159 H160 E207 D240 V242 K267
Binding residue
(residue number reindexed from 1)		R37 V39 S127 G128 T129 Y155 H156 E203 D236 V238 K263
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) N35 Y155 E203 D236 M239 K263 V398
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]