Structure of PDB 4l0o Chain E Binding Site BS01

Receptor Information
>4l0o Chain E (length=364) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRMQTKLIHGGISEDATTGAVSVPIYQTSTYRQDAIGYEYSRSGNPTRFA
LEELIADLEGGVKGFAFASGLAGIHAVFSLLQSGDHVLLGDDVYGGTFRL
FNQVLVKNGLSCTIIDTSDISQIKKAIKPNTKALYLETPSNPLLKITDLA
QCASVAKDHGLLTIVDNTFATPYYQNPLLLGADIVAHSGTKYLGGHSDVV
AGLVTTNNEALAQEIAFFQNAIGGVLGPQDSWLLQRGIKTLGLRMEAHQK
NALCVAEFLEKHPKVERVYYPGLPTHPNYELAKKQMRGFSGMLSFTLKND
SEAVAFVESLKLFILGESLGGVESLVGIPAFMAAGIRDGLVRLSVGIEHE
QDLLEDLEQAFAKI
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 chain4l0o Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4l0o Structure determination of cystathionine gamma-synthase from Helicobacter pylori
Resolution2.76 Å
Binding residue
(original residue number in PDB)		S73 G74 Y98 D170 S192 T194 K195
Binding residue
(residue number reindexed from 1)		S69 G70 Y94 D166 S188 T190 K191
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R46 Y98 D170 K195
Catalytic site (residue number reindexed from 1) R42 Y94 D166 K191
Enzyme Commision number 2.5.1.48: cystathionine gamma-synthase.
Gene Ontology
Molecular Function
GO:0003962 cystathionine gamma-synthase activity
GO:0004123 cystathionine gamma-lyase activity
GO:0016740 transferase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009086 methionine biosynthetic process
GO:0019343 cysteine biosynthetic process via cystathionine
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:4l0o, PDBe:4l0o, PDBj:4l0o
PDBsum4l0o
PubMed
UniProtP56069|METB_HELPY Cystathionine gamma-synthase (Gene Name=metB)

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