Structure of PDB 2ix4 Chain B Binding Site BS01

Receptor Information
>2ix4 Chain B (length=431) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRVVVTGLGMVTPLGRGVETTWRRLIDGECGIRGLTLDDLKMKSFDEETK
LYTFDQLSSKVAAFVPYGSNPGEFDEALWLNSKAVANFIGYAVCAADEAL
RDAEWLPTEEEEKERTGVSIGGGIGSICDIVEAAQLICEKRLRRLSPFFI
PKILVNMASGHVSMKYGFQGPNHAAVTACATGAHSIGDATRMIQFGDADV
MVAGGTESSIDALSVAGFSRSRALSTKFNSSPQEASRPFDCDRDGFVIGE
GSGVIVLEEYEHAKRRGAKIYAELCGYGMSGDAHHITQPPEDGKGAVLAM
TRALRQSGLCPNQIDYVNAHATSTPIGDAVEARAIKTVFSEHATSGTLAF
SSTKGATGHLLGAAGAVEAIFSILAIHHGVAPMTLNVKNPDPIFDKRFMP
LTTSKKMLVRTAMSNSFGFGGTNASLLFASI
Ligand information
Ligand ID6NA
InChIInChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKeyFUZZWVXGSFPDMH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCC
CACTVS 3.341CCCCCC(O)=O
FormulaC6 H12 O2
NameHEXANOIC ACID
ChEMBLCHEMBL14184
DrugBank
ZINCZINC000001529230
PDB chain2ix4 Chain B Residue 1462 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ix4 Structure of the Human Beta-Ketoacyl [Acp] Synthase from the Mitochondrial Type II Fatty Acid Synthase.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		I154 A208 C209 F248 G448 F449
Binding residue
(residue number reindexed from 1)		I124 A178 C179 F218 G418 F419
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C209 H350 E361 K384 H389 F447 F449
Catalytic site (residue number reindexed from 1) C179 H320 E331 K354 H359 F417 F419
Enzyme Commision number 2.3.1.41: beta-ketoacyl-[acyl-carrier-protein] synthase I.
Gene Ontology
Molecular Function
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0010027 thylakoid membrane organization
Cellular Component
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ix4, PDBe:2ix4, PDBj:2ix4
PDBsum2ix4
PubMed17242430
UniProtQ8L3X9|KASM_ARATH 3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial (Gene Name=KAS)

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