Structure of PDB 3tdc Chain A

Receptor sequence
>3tdcA (length=720) Species: 9606 (Homo sapiens) [Search protein sequence]
TPYVTKDLLQAKRFQAQTLGTTYIYDFPEMFRQALFKLWGSPDKYPKDIL
TYTELVLDSQGQLVEMNRLPGGNEVGMVAFKMRFKTQEYPEGRDVIVIGN
DITFRIGSFGPGEDLLYLRASEMARAEGIPKIYVAANSGARIGMAEEIKH
MFHVAWVDPEDPHKGFKYLYLTPQDYTRISSLNSVHCKHIEEGGESRYMI
TDIIGKDDGLGVENLRGSGMIAGESSLAYEEIVTISLVTCRAIGIGAYLV
RLGQRVIQVENSHIILTGASALNKVLGREVYTSNNQLGGVQIMHYNGVSH
ITVPDDFEGVYTILEWLSYMPKDNHSPVPIITPTDPIDREIEFLPSRAPY
DPRWMLAGRPHPTLKGTWQSGFFDHGSFKEIMAPWAQTVVTGRARLGGIP
VGVIAVETRTVEVAVPADPANLDSEAKIIQQAGQVWFPDSAYKTAQAIKD
FNREKLPLMIFANWRGFSGGMKDMYDQVLKFGAYIVDGLRQYKQPILIYI
PPYAELRGGSWVVIDATINPLCIEMYADKESRGGVLEPEGTVEIKFRKKD
LIKSMRRIDPAYKKLMEQLGEPDLSDKDRKDLEGRLKAREDLLLPIYHQV
AVQFADFHDTPGRMLEKGVISDILEWKTARTFLYWRLRRLLLEDQVKQEI
LQASGELSHVHIQSMLRRWFVETEGAVKAYLWDNNQVVVQWLEQHWITYL
KHDSVLKTIRGLVEENPEVA
3D structure
PDB3tdc Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors.
ChainA
Resolution2.41 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 6.4.1.2: acetyl-CoA carboxylase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 0EU A T1985 A1989 L1990 V1993 T267 A271 L272 V275 MOAD: ic50=5.4nM
PDBbind-CN: -logKd/Ki=8.27,IC50=5.4nM
BindingDB: IC50=5.4nM
Gene Ontology
Molecular Function
GO:0003989 acetyl-CoA carboxylase activity
GO:0016874 ligase activity

View graph for
Molecular Function
External links
PDB RCSB:3tdc, PDBe:3tdc, PDBj:3tdc
PDBsum3tdc
PubMed21944854
UniProtO00763|ACACB_HUMAN Acetyl-CoA carboxylase 2 (Gene Name=ACACB)

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