Structure of PDB 7kb1 Chain B Binding Site BS02

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 B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		G88 Q89 Y113 N161 D186 S207 T209 K210 N370 R405
Binding residue
(residue number reindexed from 1)		G87 Q88 Y112 N160 D185 S206 T208 K209 N369 R404
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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