Structure of PDB 2ctz Chain B Binding Site BS01

Receptor Information
>2ctz Chain B (length=421) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRFETLQLHAGYEPEPTTLSRQVPIYPTTSYVFKSPEHAANLFALKEFGN
IYSRIMNPTVDVLEKRLAALEGGKAALATASGHAAQFLALTTLAQAGDNI
VSTPNLYGGTFNQFKVTLKRLGIEVRFTSREERPEEFLALTDEKTRAWWV
ESIGNPALNIPDLEALAQAAREKGVALIVDNTFGMGGYLLRPLAWGAALV
THSLTKWVGGHGAVIAGAIVDGGNFPWEGGRYPLLTEPQPGYHGLRLTEA
FGELAFIVKARVDGLRDQGQALGPFEAWVVLLGMETLSLRAERHVENTLH
LAHWLLEQPQVAWVNYPGLPHHPHHDRAQKYFKGKPGAVLTFGLKGGYEA
AKRFISRLKLISHLANVGDTRTLAIHPASTTHSQLSPEEQAQAGVSPEMV
RLSVGLEHVEDLKAELKEALA
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 chain2ctz Chain B Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ctz Crystal structure of o-acetyl homoserine sulfhydrylase from Thermus thermophilus HB8
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G82 H83 Q86 Y107 D180 T182 F183 S203 T205 K206
Binding residue
(residue number reindexed from 1)		G82 H83 Q86 Y107 D180 T182 F183 S203 T205 K206
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R54 Y107 D180 K206
Catalytic site (residue number reindexed from 1) R54 Y107 D180 K206
Enzyme Commision number 2.5.1.-
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0030170 pyridoxal phosphate binding
GO:0051009 O-acetylhomoserine sulfhydrylase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0009086 methionine biosynthetic process
GO:0019346 transsulfuration

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2ctz, PDBe:2ctz, PDBj:2ctz
PDBsum2ctz
PubMed
UniProtQ5SK88|METY1_THET8 O-acetyl-L-homoserine sulfhydrylase 1 (Gene Name=oah1)

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