Structure of PDB 6ahi Chain B Binding Site BS01

Receptor Information
>6ahi Chain B (length=306) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMIITTMQDAIGRTPVFKFTNKDYPIPLNSAIYAKLEHLNPGGSVKDRLG
QYLIGEGFKTGKITSKTTIIEPTAGNTGIALALVAIKHHLKTIFVVPEKF
STEKQQIMRALGALVINTPTSEGISGAIKKSKELAESIPDSYLPLQFENP
DNPAAYYHTLAPEIVQELGTNLTSFVAGIGSGGTFAGTARYLKERIPAIR
LIGVEPEGSILNGGEPGPHEIEGIGVEFIPPFFENLDIDGFETISDEEGF
SYTRKLAKKNGLLVGSSSGAAFVAALKEAQRLPEGSQVLTIFPDVADRYL
SKGIYL
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain6ahi Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ahi Identification and characterization of Helicobacter pylori O-acetylserine-dependent cystathionine beta-synthase, a distinct member of the PLP-II family.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		X46 T73 A74 G75 N76 T77 K104
Binding residue
(residue number reindexed from 1)		X46 T73 A74 G75 N76 T77 K104
Annotation score2
Binding affinityPDBbind-CN: -logKd/Ki=3.60,Kd=252uM
Enzymatic activity
Catalytic site (original residue number in PDB) K46 S267
Catalytic site (residue number reindexed from 1) K46 S267
Enzyme Commision number 2.5.1.47: cysteine synthase.
Gene Ontology
Molecular Function
GO:0004122 cystathionine beta-synthase activity
GO:0004124 cysteine synthase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
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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Biological Process
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Cellular Component
External links
PDB RCSB:6ahi, PDBe:6ahi, PDBj:6ahi
PDBsum6ahi
PubMed31132312
UniProtP56067|CYSM_HELPY Cysteine synthase (Gene Name=cysM)

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