Structure of PDB 1od2 Chain B Binding Site BS02

Receptor Information
>1od2 Chain B (length=695) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKRYKAHLMGTTYVYDFPELFRQASSSQWKNFSADVKLTDDFFISNELIE
DENGELTEVEREPGANAIGMVAFKITVKTPEYPRGRQFVVVANDITFKIG
SFGPQEDEFFNKVTEYARKRGIPRIYLAANSGARIGMAEEIVPLFQVAWN
DAANPDKGFQYLYLTSEGMETLKKFDKENSVLTERTVINGEERFVIKTII
GSEDGLGVECLRGSGLIAGATSRAYHDIFTITLVTCRSVGIGAYLVRLGQ
RAIQVEGQPIILTGAPAINKMLGREVYTSNLQLGGTQIMYNNGVSHLTAV
DDLAGVEKIVEWMSYVPAKRNMPVPILETKDTWDRPVDFTPTNDETYDVR
WMIEGRETESGFEYGLFDKGSFFETLSGWAKGVVVGRARLGGIPLGVIGV
ETRTVENLIPADPANPNSAETLIQEPGQVWHPNSAFKTAQAINDFNNGEQ
LPMMILANWRGFSGGQRDMFNEVLKYGSFIVDALVDYKQPIIIYIPPTGE
LRGGSWVVVDPTINADQMEMYADVNARAGVLEPQGMVGIKFRREKLLDTM
NRLDDKYRELRSQLSNKSLAPEVHQQISKQLADRERELLPIYGQISLQFA
DLHDRSSRMVAKGVISKELEWTEARRFFFWRLRRRLNEEYLIKRLSHQVG
EASRLEKIARIRSWYPASVDHEDDRQVATWIEENYKTLDDKLKGL
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain1od2 Chain B Residue 3190 [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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PDB1od2 Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		I1593 I1629
Binding residue
(residue number reindexed from 1)		I99 I135
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.4.14: biotin carboxylase.
6.4.1.2: acetyl-CoA carboxylase.
Gene Ontology
Molecular Function
GO:0003989 acetyl-CoA carboxylase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006633 fatty acid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1od2, PDBe:1od2, PDBj:1od2
PDBsum1od2
PubMed12663926
UniProtQ00955|ACAC_YEAST Acetyl-CoA carboxylase (Gene Name=ACC1)

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