Structure of PDB 3h0q Chain B

Receptor sequence
>3h0qB (length=675) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence]
PIATPYPVKEWLQPKRYKAHLMGTTYVYDFPELFRQASSSQWKNFSADVK
LTDDFFISNELIEDENGELTEVEREPGANAIGMVAFKITVKTPEYPRGRQ
FVVVANDITFKIGSFGPQEDEFFNKVTEYARKRGIPRIYLAANSGARIGM
AEEIVPLFQVAWNDAANPDKGFQYLYLTSEGMETLKKFDKENSVLTERTV
INGEERFVIKTIIGSEDGLGVECLRGSGLIAGATSRAYHDIFTITLVTCR
SVGIGAYLVRLGQRAIQVEGQPIILTGAPAINKMLGREVYTSNLQLGGTQ
IMYNNGVSHLTAVDDLAGVEKIVEWMSYVPAKRNMPVPILETKDTWDRPV
DFTPTNDETYDVRWMIEGRETESGFEYGLFDKGSFFETLSGWAKGVVVGR
ARLGGIPLGVIGVETRTVENLIPADPANPNSAETLIQEPGQVWHPNSAFK
TAQAINDFNNGEQLPMMILANWRGFSGGQRDMFNEVLKYGSFIVDALVDY
KQPIIIYIPPTGELRGGSWVVVDPTINADQMEMYADVNARAGVLEPQGMV
GIKFRREKLLDTMNRLELLPIYGQISLQFADLHDRSSRMVAKGVISKELE
WTEARRFFFWRLRRRLNEEYLIKRLSHQVGEASRLEKIARIRSWYPASVD
HEDDRQVATWIEENYKTLDDKLKGL
3D structure
PDB3h0q Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
ChainB
Resolution2.5 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 6.3.4.14: biotin carboxylase.
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 B37 B V1923 R1954 S1957 G1958 L2025 E2026 Q2028 G2029 V442 R473 S476 G477 L544 E545 Q547 G548 PDBbind-CN: -logKd/Ki=6.07,IC50=842nM
BS02 B37 B P1760 A1761 I1762 M1765 P279 A280 I281 M284 PDBbind-CN: -logKd/Ki=6.07,IC50=842nM
Gene Ontology
Molecular Function
GO:0003989 acetyl-CoA carboxylase activity
GO:0016874 ligase activity

View graph for
Molecular Function
External links
PDB RCSB:3h0q, PDBe:3h0q, PDBj:3h0q
PDBsum3h0q
PubMed20219367
UniProtQ00955|ACAC_YEAST Acetyl-CoA carboxylase (Gene Name=ACC1)

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