Structure of PDB 8i51 Chain F Binding Site BS02

Receptor Information
>8i51 Chain F (length=528) Species: 669 (Vibrio harveyi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDPSNYQLLIKNLLFSPVAFNPEQEIVYANHRRHSYKTFHDRVRQFANAL
TKMGVKKGDTVAVMDYDSHRYLECYFAIPMIGAKLHMINVRLSPEQILYT
IDHAEDDIILIHEEFLPILDQIKGRIDTVTRYVVLRDDEECEYERLLEQE
STEYNFPDFDENTVATTFYTTGTTGFPKGVFFTHRQLVLHTMGILSTIGT
NASQGRLHQGDIYMPITPMFHVHAWGLPYMATMLGVKQVYPGKYVPDVLL
NLIEQEKVTFSHCVPTILHLLLSSPKSKAMDFSGWKVVIGGAALPKALCK
SALERDIDVFAGYGMSETGPILSIVQLTPEQLELDVDQQAEYRSKTGKKV
ALVEAYIVDEDMNKLPHDGETAGEIVVRAPWLTPNYYKDNKNSKALWRGG
YLHTGDVAHIDDEGFIKITDRVKDMIKISGEWVSSLELEDILHQHQSVSE
VAVIGMPHNKWGEVPLALVTLKEDAQVTEKELLGFAKDFINKGILAREAL
LLKVKIVDEIAKTSVGKVDKKELRKLHL
Ligand information
Ligand IDOP3
InChIInChI=1S/C8H14O4/c1-12-8(11)6-4-2-3-5-7(9)10/h2-6H2,1H3,(H,9,10)
InChIKeyYOLQOHRXBGFZED-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COC(=O)CCCCCC(=O)O
CACTVS 3.385COC(=O)CCCCCC(O)=O
FormulaC8 H14 O4
Name7-methoxy-7-oxidanylidene-heptanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8i51 Chain F Residue 603 [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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PDB8i51 Acyl-ACP Synthetase structure bound to AMP-MC7
Resolution2.76 Å
Binding residue
(original residue number in PDB)		W230 G295 G317 G319 M320 P325 I326
Binding residue
(residue number reindexed from 1)		W225 G290 G312 G314 M315 P320 I321
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links