Structure of PDB 2eco Chain A Binding Site BS01

Receptor Information
>2eco Chain A (length=302) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVEGAIGKTPVVRLAKVVEPDMAEVWVKLEGLNPGGSIKDRPAWYMIKD
AEERGILRPGSGQVIVEPTSGNTGIGLAMIAASRGYRLILTMPAQMSEER
KRVLKAFGAELVLTDPERRMLAAREEALRLKEELGAFMPDQFKNPANVRA
HYETTGPELYEALEGRIDAFVYGSGTGGTITGVGRYLKERIPHVKVIAVE
PARSNVLSGGKMGQHGFQGMGPGFIPENLDLSLLDGVIQVWEEDAFPLAR
RLAREEGLFLGMSSGGIVWAALQVARELGPGKRVACISPDGGWKYLSTPL
YA
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 chain2eco Chain A Residue 413 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2eco Crystal Structure of T.th. HB8 O-acetylserine sulfhydrylase Complexed with 4-methylvalerate
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K40 N72 Y172 G175 T176 T179 G219 S263 P289 D290
Binding residue
(residue number reindexed from 1)		K40 N72 Y172 G175 T176 T179 G219 S263 P289 D290
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K40 S70 E200 S204 S263
Catalytic site (residue number reindexed from 1) K40 S70 E200 S204 S263
Enzyme Commision number 2.5.1.47: cysteine synthase.
Gene Ontology
Molecular Function
GO:0004124 cysteine synthase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0080146 L-cysteine desulfhydrase activity
Biological Process
GO:0006535 cysteine biosynthetic process from serine
GO:0019344 cysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:2eco, PDBe:2eco, PDBj:2eco
PDBsum2eco
PubMed
UniProtQ5SLE6

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