Structure of PDB 2cb1 Chain A Binding Site BS01

Receptor Information
>2cb1 Chain A (length=404) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEYTTLAVLAGLPEDPHGAVGLPIYAVAAYGFKTLEEGQERFATGEGYVY
ARQKDPTAKALEERLKALEGALEAVVLASGQAATFAALLALLRPGDEVVA
AKGLFGQTIGLFGQVLSLMGVTVRYVDPEPEAVREALSAKTRAVFVETVA
NPALLVPDLEALATLAEEAGVALVVDNTFGAAGALCRPLAWGAHVVVESL
TKWASGHGSVLGGAVLSRETELWRNYPQFLQPWEALRARCFPERVRTLGL
SLCGMALSPFNAYLLFQGLETVALRVARMSETARFLAERLQGHPKVKALR
YPGLPEDPAHRNARKYLASGGPILTLDLGDLERASRFLGAIRLLKAANLG
DARTLLVHPWTTTHSRLKEEARLQAGVTPGLVRVSVGLEDPLDLLALFEE
ALEA
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 chain2cb1 Chain A Residue 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cb1 The Crystal Structure of O-Acetyl Homoserine Sulfhydrylase
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S79 G80 Q81 F105 D176 T178 S199 T201 K202 A411
Binding residue
(residue number reindexed from 1)		S79 G80 Q81 F105 D176 T178 S199 T201 K202 A404
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R52 F105 D176 K202
Catalytic site (residue number reindexed from 1) R52 F105 D176 K202
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:2cb1, PDBe:2cb1, PDBj:2cb1
PDBsum2cb1
PubMed
UniProtQ5SJ58|METY2_THET8 O-acetyl-L-homoserine sulfhydrylase 2 (Gene Name=oah2)

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