Structure of PDB 6s54 Chain A Binding Site BS01

Receptor Information
>6s54 Chain A (length=453) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSNNKAWLKEHNTVHMMHPMQDPKALHEQRPLIIQSGKGVHITDVDGRRF
IDCQGGLWCVNAGYGRREIIDAVTRQMEELAYYSLFPGSTNAPAIALSQK
LTEVAAEEGMVKASFGLGGSDAVETALKIARQYWKLEGQPDKVKFVSLYN
GYHGLNFGGMSACGGNAWKSSYEPLMPGFFQVESPHLYRNPFTNDPEELA
EICAQILERQIEMQAPGTVAALIAEPIQGAGGVIVPPASYWPRLRQICDK
YDILLIADEVITGLGRSGSLFGSRGWGVKPDIMCLAKGISSGYVPLSATL
VNSRVARAWERDAGFTSVYMHGYTYSGHPVSCAAALAAIDIVLQENLAEN
ARVVGDYFLEKLLILKDKHRAIGDVRGKGLMLAVELVKERATKEPFGPAD
AYPLAISEACVNNGVMIRTIVNKLIISPPLTFTTEHVDEVIEVLDRAFVA
NPW
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 chain6s54 Chain A Residue 501 [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]
PDB6s54 Enhancing PLP-Binding Capacity of Class-III omega-Transaminase by Single Residue Substitution.
Resolution2.21 Å
Binding residue
(original residue number in PDB)		G125 S126 Y158 H159 G160 E231 D264 V266 I267 K293
Binding residue
(residue number reindexed from 1)		G119 S120 Y152 H153 G154 E225 D258 V260 I261 K287
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) M26 Y158 D264 K293
Catalytic site (residue number reindexed from 1) M20 Y152 D258 K287
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding

View graph for
Molecular Function
External links
PDB RCSB:6s54, PDBe:6s54, PDBj:6s54
PDBsum6s54
PubMed31681755
UniProtA0A2S8XV37

[Back to BioLiP]