Structure of PDB 8i22 Chain D Binding Site BS01

Receptor Information
>8i22 Chain D (length=530) Species: 669 (Vibrio harveyi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YVNDPSNYQLLIKNLLFSPVAFNPEQEIVYANHRRHSYKTFHDRVRQFAN
ALTKMGVKKGDTVAVMDYDSHRYLECYFAIPMIGAKLHMINVRLSPEQIL
YTIDHAEDDIILIHEEFLPILDQIKGRIDTVTRYVVLRDDEECEYERLLE
QESTEYNFPDFDENTVATTFYTTGTTGFPKGVFFTHRQLVLHTMGILSTI
GTNASQGRLHQGDIYMPITPMFHVHAWGLPYMATMLGVKQVYPGKYVPDV
LLNLIEQEKVTFSHCVPTILHLLLSSPKSKAMDFSGWKVVIGGAALPKAL
CKSALERDIDVFAGYGMSETGPILSIVQLTPEQLELDVDQQAEYRSKTGK
KVALVEAYIVDEDMNKLPHDGETAGEIVVRAPWLTPNYYKDNKNSKALWR
GGYLHTGDVAHIDDEGFIKITDRVKDMIKISGEWVSSLELEDILHQHQSV
SEVAVIGMPHNKWGEVPLALVTLKEDAQVTEKELLGFAKDFINKGILARE
ALLLKVKIVDEIAKTSVGKVDKKELRKLHL
Ligand information
Ligand IDOBK
InChIInChI=1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11)
InChIKeyNQYXFXWKKYGBNL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOC(=O)CCCCCC(=O)O
CACTVS 3.385CCOC(=O)CCCCCC(O)=O
FormulaC9 H16 O4
Name7-ethoxy-7-oxidanylidene-heptanoic acid;
pimelic acid monoethyl ester
ChEMBL
DrugBank
ZINC
PDB chain8i22 Chain D Residue 601 [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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PDB8i22 Acyl-ACP Synthetase structure bound to pimelic acid monoethyl ester
Resolution2.15 Å
Binding residue
(original residue number in PDB)		W230 G295 G317 Y318 G319 P325 I326 I329
Binding residue
(residue number reindexed from 1)		W227 G292 G314 Y315 G316 P322 I323 I326
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links