Structure of PDB 8g4c Chain A Binding Site BS01

Receptor Information
>8g4c Chain A (length=639) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNINQLILRNLKKNLRNYYLYVFALIFSVALYFAFVTLQYDPAINEVKAS
IKGAAAIKTASILLVAVVAIFILYANTIFIKRRSKEIGLFQLIGMTKHKI
FRILSAENVMLYFGSLAIGVAAGFSISKLVLMILFKIVDVKADAKLHFSE
QALVQTVIVFCGIYLLIMIMNYTFIKKQSILSLFKKVKKISFFQMLIGAL
GIVLILTGYYVSSELFGGKFKTINELFVAMSFILGSVIIGTFLFYKGSVT
FISNIIRKSKGGYLNISEVLSLSSIMFRMKSNALLLTIITTVSALAIGLL
SLAYISYYSSEKTAEQNVAADFSFMNEKDAKLFENKLRESNISFVKKATP
VLQANVDIANIMDGTPKEMQGDPGNMQLAVVSDKDVKGVDVAAGEAVFSG
YTDLLQKIMVFKDSGVIKVKSKHETQPLKYKGLREEFLVSYTFTSGGMPA
VIVDDSLFKQLDKDKDPRIQLAQSTFIGVNVKHDDQMEKANELFQQVNKK
NEHLSRLDTSAAQKSLFGMVMFIVGFLGLTFLITSGCILYFKQMGESEDE
KPSYTILRKLGFTQGDLIKGIRIKQMYNFGIPLVVGLFHSYFAVQSGWFL
FGSEVWAPMIMVMVLYTALYSIFGFLSVLYYKKVIKSSL
Ligand information
Ligand ID6OU
InChIInChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
InChIKeyFHQVHHIBKUMWTI-OTMQOFQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC39 H76 N O8 P
Name[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000008437520
PDB chain8g4c Chain A Residue 701 [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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PDB8g4c Architecture of a complete Bce-type antimicrobial peptide resistance module.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		F27 L31 K136 Y315 M528 F533
Binding residue
(residue number reindexed from 1)		F27 L31 K136 Y308 M521 F526
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0046677 response to antibiotic
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:8g4c, PDBe:8g4c, PDBj:8g4c
PDBsum8g4c
PubMed37393310
UniProtO34741|BCEB_BACSU Bacitracin export permease protein BceB (Gene Name=bceB)

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