Structure of PDB 4g1p Chain A Binding Site BS04

Receptor Information
>4g1p Chain A (length=479) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSHSLTSVFQKIDSLKPQFFSRLTKAIQIPAVSSDESLRSKVFDKAKFIS
EQLSQSGFHDIKMVDLGIQPPPSTPNLSLPPVILSRFGSDPSKKTVLVYG
HYDVQPAQLEDGWDTEPFKLVIDEAKGIMKGRGVTDDTGPLLSWINVVDA
FKASGQEFPVNLVTCFEGMEESGSLKLDELIKKEANGYFKGVDAVCISDN
YWLGTKKPVLTYGLRGCNYYQTIIEGPSADLHSGIFGGVVAEPMIDLMQV
LGSLVDSKGKILIDGIDEMVAPLTEKEKALYKDIEFSVEELNAATGSKTS
LYDKKEDILMHRWRYPSLSIHGVEGAFSAQGAKTVIPAKVFGKFSIRTVP
DMDSEKLTSLVQKHCDAKFKSLNSPNKCRTELIHDGAYWVSDPFNAQFTA
AKKATKLVYGVDPDFTREGGSIPITLTFQDALNTSVLLLPMGRGDDGAHS
INEKLDISNFVGGMKTMAAYLQYYSESPE
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain4g1p Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4g1p Structural and Mechanistic Basis of Substrate Recognition by Novel Di-peptidase Dug1p From Saccromyces cerevesiae
Resolution2.547 Å
Binding residue
(original residue number in PDB)		C218 R348 H385
Binding residue
(residue number reindexed from 1)		C217 R347 H384
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.13.-
Gene Ontology
Molecular Function
GO:0008233 peptidase activity
GO:0008237 metallopeptidase activity
GO:0008242 omega peptidase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016805 dipeptidase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0070573 metallodipeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0006751 glutathione catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4g1p, PDBe:4g1p, PDBj:4g1p
PDBsum4g1p
PubMed
UniProtP43616|DUG1_YEAST Cys-Gly metallodipeptidase DUG1 (Gene Name=DUG1)

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