Structure of PDB 4qqu Chain A Binding Site BS01

Receptor Information
>4qqu Chain A (length=766) Species: 5476 (Candida albicans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVQSSVLGFPRIGGQRELKKITEAYWSGKATVEELLAKGKELREHNWKLQ
QKAGVDIIPSNDFSYYDQVLDLSLLFNAIPERYTKFDLAPIDVLFAMGRG
LQAAATTQAAVDVTALEMVKWFDSNYHYVRPTFSHSTEFKLNTAAGIKPV
DEFNEAKALGVQTRPVILGPVSYLYLGKADKDSLDLEPISLLPKILPVYK
ELLQKLKEAGAEQVQIDEPVLVLDLPEAVQSKFKEAYDALVGADVPELIL
TTYFGDVRPNLKAIENLPVAGFHFDFVRVPEQLDEVASILKDGQTLSAGV
VDGRNIWKTDFAKASAVVQKAIEKVGKDKVVVATSSSLLHTPVDLESETK
LDAVIKDWFSFATQKLDEVVVIAKNVSGEDVSKQLEANAASIKARSESSI
TNDPKVQERLTTINEALATRKAAFPERLTEQKAKYNLPLFPTTTIGSFPQ
TKDIRINRNKFAKGQITAEEYEAFINKEIETVVRFQEEIGLDVLVHGEPE
RNDMVQYFGEQLNGFAFTTNGWVQSYGSRYVRPPIIVGDVSRPKAMTVKE
SVYAQSITSKPMKGMLTGPVTILRWSFPRDDVSGKIQALQLGLALRDEVN
DLEGAGITVIQVDEPAIREGLPLRAGKERSDYLNWAAQSFRVATSGVENS
TQIHSHFCYSDLDPNHIKALDADVVSIEFSKKDDPNYIQEFSEYPNHIGL
GLFDIHSPRIPSKQEFVSRIEEILKVYPASKFWVNPDCGLKTRGWPEVKE
SLTNMVEAAKEFRAKY
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4qqu Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qqu The cobalamin-independent methionine synthase enzyme captured in a substrate-induced closed conformation.
Resolution2.98 Å
Binding residue
(original residue number in PDB)		H657 C659 C739
Binding residue
(residue number reindexed from 1)		H656 C658 C738
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4qqu, PDBe:4qqu, PDBj:4qqu
PDBsum4qqu
PubMed25545590
UniProtP82610|METE_CANAL 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase (Gene Name=MET6)

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