Structure of PDB 4l61 Chain A Binding Site BS01

Receptor Information
>4l61 Chain A (length=755) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVQSSVLGFPRIGGQRELKKITEAYWSGKATVEELLAKGKELREHNWKLQ
QKAGVDIIPSNDFSYYDQVLDLSLLFNAIPERYTKFDLAPIDVLFAMGRG
LQAAVTALEMVKWFDSNYHYVRPTFSHSTEFKLNTAAGIKPVDEFNEAKA
LGVQTRPVILGPVSYLYLGKADKDSLDLEPISLLPKILPVYKELLQKLKE
AGAEQVQIDEPVLVLDLPEAVQSKFKEAYDALVGADVPELILTTYFGDVR
PNLKAIENLPVAGFHFDFVRVPEQLDEVASILKDGQTLSAGVVDGRNIWK
TDFAKASAVVQKAIEKVGKDKVVVATSSSLLHTPVDLESETKLDAVIKDW
FSFATQKLDEVVVIAKNVSGEDVSKQLEANAASIKARSESSITNDPKVQE
RLTTINEALATRKAAFPERLTEQKAKYNLPLFPTTTIGSFPQTKDIRINR
NKFAGQITAEEYEAFINKEIETVVRFQEEIGLDVLVHGEPERNDMVQYFG
EQLNGFAFTTNGWVQSYGSRYVRPPIIVGDVSRPKAMTVKESVYAQSITS
KPMKGMLTGPVTILRWSFPRDDVSGKIQALQLGLALRDEVNDLEGAGITV
IQVDEPAIREGLPLRAGKERSDYLNWAAQSFRVATSGVENSTQIHSHFCY
SDLDPNHIKALDADVVSIEFSKKDPNYIQEFSEYPNHIGLGLFDIHSPRI
PSKQEFVSRIEEILKVYPASKFWVNPDCGLKTRGWPEVKESLTNMVEAAK
EFRAK
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 chain4l61 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4l61 Structural analysis of a fungal methionine synthase with substrates and inhibitors.
Resolution2.13 Å
Binding residue
(original residue number in PDB)		I446 G447 S448 E499 M505 D614 C659 C739 G740
Binding residue
(residue number reindexed from 1)		I437 G438 S439 E489 M495 D604 C649 C728 G729
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.14: 5-methyltetrahydropteroyltriglutamate--homocysteine S-methyltransferase.
Gene Ontology
Molecular Function
GO:0003871 5-methyltetrahydropteroyltriglutamate-homocysteine S-methyltransferase activity
GO:0008168 methyltransferase activity
GO:0008172 S-methyltransferase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006555 methionine metabolic process
GO:0006696 ergosterol biosynthetic process
GO:0008652 amino acid biosynthetic process
GO:0009086 methionine biosynthetic process
GO:0019280 L-methionine biosynthetic process from homoserine via O-acetyl-L-homoserine and cystathionine
GO:0032259 methylation
GO:0034605 cellular response to heat
GO:0052553 symbiont-mediated perturbation of host immune response
GO:0071266 'de novo' L-methionine biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0009277 fungal-type cell wall
GO:0009986 cell surface
GO:0030446 hyphal cell wall
GO:0062040 fungal biofilm matrix

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4l61, PDBe:4l61, PDBj:4l61
PDBsum4l61
PubMed24524835
UniProtP82610|METE_CANAL 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase (Gene Name=MET6)

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