Structure of PDB 4ib2 Chain B Binding Site BS01

Receptor Information
>4ib2 Chain B (length=243) Species: 411470 (Mediterraneibacter gnavus ATCC 29149) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKTIKVAASATPHAEILEQAKSILKKEGYQLEVTVFDDYVQPNEVVESGE
FDANYFQHVPYLESFNEEKGTHLVDAGDIHYEPFGIYPGTKKSLDEISEG
DKIAVPNDTTNEARALLLLQDNGIITLKDGAGLNATVNDIEENPYNVEIV
ELEAAQVARVTGETAYVVLNGNYALEAGYSVAKDALAYEKSDSEAAKTYV
NIIAVKEGNEKEEKIQALVKALKSDEIKEYIEKTYDGAVIPFE
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 chain4ib2 Chain B Residue 306 [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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PDB4ib2 Crystal structure of a putative lipoprotein (RUMGNA_00858) from Ruminococcus gnavus ATCC 29149 at 1.76 A resolution
Resolution1.76 Å
Binding residue
(original residue number in PDB)		Y74 F91 Q92 H93 Y96 E117 N146 R149 N205 N207 N236
Binding residue
(residue number reindexed from 1)		Y39 F56 Q57 H58 Y61 E82 N111 R114 N170 N172 N201
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4ib2, PDBe:4ib2, PDBj:4ib2
PDBsum4ib2
PubMed
UniProtA7AZY4

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