Structure of PDB 2bht Chain A Binding Site BS01

Receptor Information
>2bht Chain A (length=294) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSTLEQTIGNTPLVKLQRMGPDNGSEVWLKLEGNNPAGSVKDRAALSMIV
EAEKRGRIKPGDVLIEATSGNTGIALAMIAALKGYRMKLLMPDNMSQERR
AAMRAYGAELILVTKEQGMEGARDLALEMANRGEGKLLDQFNNPDNPKAH
YTTTGPEIWQQTGGRITHFVSSMGTTGTITGVSEFMREQSKPVTIVGLQP
EEGSSIPGIRRWPTEYLPGIFNASLVDEVLDIHQRDAENTMRELAVREGI
FCGVSSGGAVAGALRVAKANPDAVVVAIICDRGDRYLSTGVFGE
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 chain2bht Chain A Residue 320 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bht Structure of the O-Acetylserine Sulfhydrylase Isoenzyme Cysm from Escherichia Coli
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K41 N71 M173 G174 T175 T176 T178 G208 S255 C280
Binding residue
(residue number reindexed from 1)		K41 N71 M173 G174 T175 T176 T178 G208 S255 C280
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K41 S69 Q199 G203 S255 C280
Catalytic site (residue number reindexed from 1) K41 S69 Q199 G203 S255 C280
Enzyme Commision number 2.5.1.47: cysteine synthase.
Gene Ontology
Molecular Function
GO:0004124 cysteine synthase activity
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity
GO:0080146 L-cysteine desulfhydrase activity
Biological Process
GO:0006535 cysteine biosynthetic process from serine
GO:0016226 iron-sulfur cluster assembly
GO:0019344 cysteine biosynthetic process
GO:0019345 cysteine biosynthetic process via S-sulfo-L-cysteine
GO:0019450 L-cysteine catabolic process to pyruvate
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:2bht, PDBe:2bht, PDBj:2bht
PDBsum2bht
PubMed15952768
UniProtP16703|CYSM_ECOLI Cysteine synthase B (Gene Name=cysM)

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