Structure of PDB 7f1v Chain B Binding Site BS01

Receptor Information
>7f1v Chain B (length=392) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPGFATRAIHHGYDPQDHGGALVPPVYQTATFTFPTVEYGAACFAGEQAG
HFYSRISNPTLNLLEARMASLEGGEAGLALASGMGAITSTLWTLLRPGDE
VLLGNTLYGCTFAFLHHGIGEFGVKLRHVDMADLQALEAAMTPATRVIYF
ESPANPNMHMADIAGVAKIARKHGATVVVDNTYCTPYLQRPLELGADLVV
HSATKYLSGHGDITAGIVVGSQALVDRIRLQGLKDMTGAVLSPHDAALLM
RGIKTLNLRMDRHCANAQVLAEFLARQPQVELIHYPGLASFPQYTLARQQ
MSQPGGMIAFELKGGIGAGRRFMNALQLFSRAVSLGDAESLASHPASMTH
SSYTPEERAHYGISEGLVRLSVGLEDIDDLLADVQQALKASA
Ligand information
Ligand ID7XF
InChIInChI=1S/C12H19N2O7PS/c1-7-11(15)9(5-14-10(2-3-23)12(16)17)8(4-13-7)6-21-22(18,19)20/h4,10,14-15,23H,2-3,5-6H2,1H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1
InChIKeyPXCMMZUTCUCUSM-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](CCS)C(O)=O)c1O
OpenEye OEToolkits 2.0.6Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCS)C(=O)O)O
OpenEye OEToolkits 2.0.6Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCS)C(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCS)C(O)=O)c1O
FormulaC12 H19 N2 O7 P S
Name(2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid
ChEMBL
DrugBank
ZINC
PDB chain7f1v Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7f1v Characterization and application of l-methionine gamma-lyase Q349S mutant enzyme with an enhanced activity toward l-homocysteine.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Y59 R61
Binding residue
(residue number reindexed from 1)		Y53 R55
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.11: methionine gamma-lyase.
4.4.1.2: homocysteine desulfhydrase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016846 carbon-sulfur lyase activity
GO:0018826 methionine gamma-lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0047982 homocysteine desulfhydrase activity
Biological Process
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:7f1v, PDBe:7f1v, PDBj:7f1v
PDBsum7f1v
PubMed34953671
UniProtP13254|MEGL_PSEPU L-methionine gamma-lyase (Gene Name=mdeA)

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