Structure of PDB 1pg8 Chain A Binding Site BS01

Receptor Information
>1pg8 Chain A (length=398) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHGSNKLPGFATRAIHHGYDPQDHGGALVPPVYQTATFTFPTVEYGAACF
AGEQAGHFYSRISNPTLNLLEARMASLEGGEAGLALASGMGAITSTLWTL
LRPGDEVLLGNTLYGCTFAFLHHGIGEFGVKLRHVDMADLQALEAAMTPA
TRVIYFESPANPNMHMADIAGVAKIARKHGATVVVDNTYCTPYLQRPLEL
GADLVVHSATKYLSGHGDITAGIVVGSQALVDRIRLQGLKDMTGAVLSPH
DAALLMRGIKTLNLRMDRHCANAQVLAEFLARQPQVELIHYPGLASFPQY
TLARQQMSQPGGMIAFELKGGIGAGRRFMNALQLFSRAVSLGDAESLAQH
PASMTHSSYTPEERAHYGISEGLVRLSVGLEDIDDLLADVQQALKASA
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 chain1pg8 Chain A Residue 1399 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pg8 ?
Resolution2.68 Å
Binding residue
(original residue number in PDB)		S88 G89 M90 Y114 D186 S208 T210 K211
Binding residue
(residue number reindexed from 1)		S88 G89 M90 Y114 D186 S208 T210 K211
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R61 Y114 D186 K211
Catalytic site (residue number reindexed from 1) R61 Y114 D186 K211
Enzyme Commision number 4.4.1.11: methionine gamma-lyase.
4.4.1.2: homocysteine desulfhydrase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016846 carbon-sulfur lyase activity
GO:0018826 methionine gamma-lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0047982 homocysteine desulfhydrase activity
Biological Process
GO:0019346 transsulfuration
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1pg8, PDBe:1pg8, PDBj:1pg8
PDBsum1pg8
PubMed
UniProtP13254|MEGL_PSEPU L-methionine gamma-lyase (Gene Name=mdeA)

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