Structure of PDB 2iwz Chain A Binding Site BS01

Receptor Information
>2iwz Chain A (length=426) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEGRSRLHRRVVITGIGLVTPLGVGTHLVWDRLIGGESGIVSLVGEEYKS
IPCSVAAYVPRGSDEGQFNEQNFVSKSDIKSMSSPTIMAIGAAELAMKDS
GWHPQSEADQVATGVAIGMGMIPLEVVSETALNFQTKGYNKVSPFFVPKI
LVNMAAGQVSIRYKLKGPNHAVSTACTTGAHAVGDSFRFIAHGDADVMVA
GGTDSCISPLSLAGFSRARALSTNSDPKLACRPFHPKRDGFVMGEGAAVL
VLEEYEHAVQRRARIYAEVLGYGLSGDAGHITAPDPEGEGALRCMAAALK
DAGVQPEEISYINAHATSTPLGDAAENKAIKHLFKDHAYALAVSSTKGAT
GHLLGAAGAVEAAFTTLACYYQKLPPTLNLDCSEPEFDLNYVPLKAQEWK
TEKRFIGLTNSFGFGGTNATLCIAGL
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 chain2iwz Chain A Residue 1460 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2iwz Structure of the Human Beta-Ketoacyl [Acp] Synthase from the Mitochondrial Type II Fatty Acid Synthase.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		G153 A208 C209 F248 G446 F447
Binding residue
(residue number reindexed from 1)		G120 A175 C176 F215 G413 F414
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C209 H348 E359 K380 H385 F445 F447
Catalytic site (residue number reindexed from 1) C176 H315 E326 K347 H352 F412 F414
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:0006637 acyl-CoA metabolic process
GO:0032787 monocarboxylic acid metabolic process
GO:0051790 short-chain fatty acid biosynthetic process
GO:0051792 medium-chain fatty acid biosynthetic process
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2iwz, PDBe:2iwz, PDBj:2iwz
PDBsum2iwz
PubMed17242430
UniProtQ9NWU1|OXSM_HUMAN 3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial (Gene Name=OXSM)

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