Structure of PDB 7kb1 Chain B Binding Site BS01

Receptor Information
>7kb1 Chain B (length=428) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWKKYGYNTRALHAGYEPPEQATGSRAVPIYQTTSYVFRDSDHAARLFAL
EEPGFIYTRIGNPTVSVLEERIAALEEGVGALAVASGQAAITYAILNIAG
PGDEIVSGSALYGGTYNLFRHTLYKKSGIIVKFVDETDPKNIEEAITEKT
KAVYLETIGNPGLTVPDFEAIAEIAHRHGVPLIVDNTVAPYIFRPFEHGA
DIVVYSATKFIGGHGTSIGGLIVDSGKFDWTNGKFPELVEPDPSYHGVSY
VETFKEAAYIAKCRTQLLRDLGSCMSPFNAFLFILGLETLSLRMKKHCEN
ALKIVEFLKSHPAVSWVNYPIAEGNKTRENALKYLKEGYGAIVTFGVKGG
KEAGKKFIDSLTLISHLANIGDARTLAIHPASTTHQQLTEEEQLKTGVTP
DMIRLSVGIEDVEDIIADLDQALRKSQE
Ligand information
Ligand IDWBJ
InChIInChI=1S/C12H15N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-4,15H,1,5-6H2,2H3,(H,16,17)(H2,18,19,20)/b14-10+
InChIKeyILCWREDNKMRIGC-GXDHUFHOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(C=C)C(=O)O)O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C)/C(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(CN=C(C=C)C(O)=O)c1O
ACDLabs 12.01Cc1c(c(C/N=C(/C(O)=O)\C=C)c(COP(O)(O)=O)cn1)O
FormulaC12 H15 N2 O7 P
Name(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
ChEMBL
DrugBank
ZINC
PDB chain7kb1 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7kb1 Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Y58 R60
Binding residue
(residue number reindexed from 1)		Y57 R59
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.-
Gene Ontology
Molecular Function
GO:0003961 O-acetylhomoserine aminocarboxypropyltransferase activity
GO:0004124 cysteine synthase activity
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:0006535 cysteine biosynthetic process from serine
GO:0009086 methionine biosynthetic process
GO:0019346 transsulfuration
GO:0071266 'de novo' L-methionine biosynthetic process
GO:0071269 L-homocysteine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7kb1, PDBe:7kb1, PDBj:7kb1
PDBsum7kb1
PubMed34019879
UniProtQ9WZY4|METY_THEMA O-acetyl-L-homoserine sulfhydrylase (Gene Name=TM_0882)

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