Structure of PDB 7cww Chain A Binding Site BS01

Receptor Information
>7cww Chain A (length=350) Species: 39478 (Streptomyces laurentii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSEQKDLTVSVPWSVQEDLLLDVAAPLLDESVELGETDSWFYLRENHGGR
PFLRLRFASRSPSVERRLKSRILAHVGPTIDAGDVFTYQPYNHEHDWLGG
TAGLGLAENFWTETTPLALDTLRATRGNRALRLAVAFDFLVCTGVMLAPH
LPPSIAKFGYKAGYLSYLATFEGYMLLIRDPEGTRAKHAQRYEKNRELLR
PRLRTLVEQMSEPDGELTDVPELAREWLVRLRDYVPALQKGFDEGRFYLY
ATPRKAETAPDVEWLSDLPEPPVAGIHRAIADNTYYQGMIREDRRFLASR
LAQAYTNWHLYRLGFLLADRYTLFYLIARAFEEEYDLDAAALIRSVRPEA
Ligand information
Ligand ID33O
InChIInChI=1S/C26H54O14/c27-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-25-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h27-28H,1-26H2
InChIKeyAKWFJQNBHYVIPY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O(CCOCCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.9.2C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
CACTVS 3.385OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
FormulaC26 H54 O14
Name3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol;
Tridecaethyleneglycol
ChEMBL
DrugBank
ZINCZINC000100008458
PDB chain7cww Chain A Residue 401 [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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PDB7cww crystal structure of TsrL
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S168 Y169 F310 Q317 A318 N321 Y325
Binding residue
(residue number reindexed from 1)		S166 Y167 F296 Q303 A304 N307 Y311
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links