Structure of PDB 4qhq Chain A Binding Site BS01

Receptor Information
>4qhq Chain A (length=241) Species: 216591 (Burkholderia cenocepacia J2315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VIKVGTVAGPDSEVWQVVQKVAKEKEGLNVKVIEFNDYVQPNAALDSGDL
DANSFQHQPYLDSQVKQRGYKIVSAGLTYISPIGVYSKKFKSLKDLPQGA
KLAVPNDPSNENRALLLLQTQGVIKLKAGAGTGGNNATVLDIAENPKKLK
ISELDAAQLPRVLSDVDAAVINTNYALAANLQPTKDAIALESLTSPYANL
IAVRAKDKDQPWVKKLVKAYQSPEVKEFIKKQFKGSMVASF
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 chain4qhq Chain A Residue 301 [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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PDB4qhq The structure of a nutrient binding protein from Burkholderia cenocepacia bound to methionine
Resolution1.4 Å
Binding residue
(original residue number in PDB)		Y68 F85 Q86 H87 Y90 R143 N204 N229
Binding residue
(residue number reindexed from 1)		Y38 F55 Q56 H57 Y60 R113 N174 N199
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4qhq, PDBe:4qhq, PDBj:4qhq
PDBsum4qhq
PubMed
UniProtB4EA88

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