Structure of PDB 6s54 Chain B Binding Site BS01

Receptor Information
>6s54 Chain B (length=450) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKAWLKEHNTVHMMHPMQDPKALHEQRPLIIQSGKGVHITDVDGRRFIDC
QGGLWCVNAGYGRREIIDAVTRQMEELAYYSLFPGSTNAPAIALSQKLTE
VAAEEGMVKASFGLGGSDAVETALKIARQYWKLEGQPDKVKFVSLYNGYH
GLNFGGMSACGGNAWKSSYEPLMPGFFQVESPHLYRNPFTNDPEELAEIC
AQILERQIEMQAPGTVAALIAEPIQGAGGVIVPPASYWPRLRQICDKYDI
LLIADEVITGLGRSGSLFGSRGWGVKPDIMCLAKGISSGYVPLSATLVNS
RVARAWERDAGFTSVYMHGYTYSGHPVSCAAALAAIDIVLQENLAENARV
VGDYFLEKLLILKDKHRAIGDVRGKGLMLAVELVKERATKEPFGPADAYP
LAISEACVNNGVMIRTIVNKLIISPPLTFTTEHVDEVIEVLDRAFVANPW
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 B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		G116 S117 Y149 H150 G151 E222 D255 V257 I258 K284
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) M26 Y158 D264 K293
Catalytic site (residue number reindexed from 1) M17 Y149 D255 K284
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

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