Structure of PDB 3gxa Chain C Binding Site BS01

Receptor Information
>3gxa Chain C (length=244) 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
KTADKDSQWLKDVTEAYNSDAFKAYAHKRFEGYKSPAAWNEGAA
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 chain3gxa Chain C Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gxa Crystal structure of lipoprotein GNA1946 from Neisseria meningitidis
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Y81 F98 Q99 H100 Y103 R156 N213 N215 N238
Binding residue
(residue number reindexed from 1)		Y39 F56 Q57 H58 Y61 R114 N171 N173 N196
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:3gxa, PDBe:3gxa, PDBj:3gxa
PDBsum3gxa
PubMed19733245
UniProtQ7BMQ8

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