Structure of PDB 3ir1 Chain D Binding Site BS01

Receptor Information
>3ir1 Chain D (length=239) Species: 487 (Neisseria meningitidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEIVFGTTVGDFGDMVKEQIQPELEKKGYTVKLVEFTDYVRPNLALAEGE
LDINVFQHKPYLDDFKKEHNLDITEVFQVPTAPLGLYPGKLKSLEEVKDG
STVSAPNDPSNFARVLVMLDELGWIKLKDGINPLTASKADIAENLKNIKI
VELEAAQLPRSRADVDFAVVNGNYAISSGMKLTEALFQEPSFAYVNWSAV
KTADKDSQWLKDVTEAYNSDAFKAYAHKRFEGYKSPAAW
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 chain3ir1 Chain D Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ir1 Crystal structure of lipoprotein GNA1946 from Neisseria meningitidis
Resolution2.15 Å
Binding residue
(original residue number in PDB)		Y81 F98 Q99 H100 Y103 N153 N215 N238
Binding residue
(residue number reindexed from 1)		Y39 F56 Q57 H58 Y61 N111 N173 N196
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:3ir1, PDBe:3ir1, PDBj:3ir1
PDBsum3ir1
PubMed19733245
UniProtQ7BMQ8

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