Structure of PDB 6smq Chain E Binding Site BS02

Receptor Information
>6smq Chain E (length=911) Species: 242619 (Porphyromonas gingivalis W83) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVVVLGYGTGQKLSTVSGSVAKVSSEKLAEKPVANIMDALQGQVAGMQVM
TTSGDPTAVASVEIHGTGSLGASSAPLYIVDGMQTSLDVVATMNPNDFES
MSVLKDASATSIYGARAANGVVFIQTKKGKMSERGRITFNASYGISQILN
TKPLDNMMTGDELLDFQVKAGFWGNNQTVQKVKDMILAGAEDLYGNYDSL
KDEYGKTLFPVDFNHDADWLKALFKTAPTSQGDISFSGGSQGTSYYASIG
YFDQEGMAREPANFKRYSGRLNFESRINEWLKVGANLSGAIANRRSADYF
GKYYMGSGTFGVLTMPRYYNPFDVNGDLADVYYMYGATRPSMTEPYFAKM
RPFSSESHQANVNGFAQITPIKGLTLKAQAGVDITNTRTSSKRMPNNPYD
STPLGERRERAYRDVSKSFTNTAEYKFSIDEKHDLTALMGHEYIEYEGDV
IGASSKGFESDKLMLLSQGKTGNSLSLPEHRVAEYAYLSFFSRFNYGFDK
WMYIDFSVRNDQSSRFGSNNRSAWFYSVGGMFDIYNKFIQESNWLSDLRL
KMSYGTTGNSEIGNYNHQALVTVNNYTEDAMGLSISTAGNPDLSWEKQSQ
FNFGLAAGAFNNRLSAEVDFYVRTTNDMLIDVPMPYISGFFSQYQNVGSM
KNTGVDLSLKGTIYQNKDWNVYASANFNYNRQEITKLFFGLNKYMLPNTG
TIWEIGYPNSFYMAEYAGIDKKTGKQLWYVPGQVDKVTTSQYSADLETRI
DKSVTPPITGGFSLGASWKGLSLDADFAYIVGKWMINNDRYFTENGGGLM
QLNKDKMLLNAWTEDNKETDVPKLGQSPQFDTHLLENASFLRLKNLKLTY
VLPNSLFAGQNVIGGARVYLMARNLLTVTKYKGFDPEAGGNVGKNQYPNS
KQYVAGIQLSF
Ligand information
Ligand IDC8E
InChIInChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChIKeyFEOZZFHAVXYAMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCOCCOCCOCCOCCO
FormulaC16 H34 O5
Name(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
ChEMBL
DrugBankDB04233
ZINCZINC000014881140
PDB chain6smq Chain E Residue 1102 [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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PDB6smq Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		A482 V484
Binding residue
(residue number reindexed from 1)		A380 V382
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009279 cell outer membrane

View graph for
Cellular Component
External links
PDB RCSB:6smq, PDBe:6smq, PDBj:6smq
PDBsum6smq
PubMed32393857
UniProtQ7MXJ7

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