Structure of PDB 3rv3 Chain A Binding Site BS03

Receptor Information
>3rv3 Chain A (length=447) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMLDKIVIANRGEIALRILRACKELGIKTVAVHSSADRDLKHVLLADE
TVCIGPAPSVKSYLNIPAIISAAEITGAVAIHPGYGFLSENANFAEQVER
SGFIFIGPKAETIRLMGDKVSAIAAMKKAGVPCVPGSDGPLGDDMDKNRA
IAKRIGYPVIIKASGGGGGRGMRVVRGDAELAQSISMTRAEAKAAFSNDM
VYMEKYLENPRHVEIQVLADGQGNAIYLAERDCSMQRRHQKVVEEAPAPG
ITPELRRYIGERCAKACVDIGYRGAGTFEFLFENGEFYFIEMNTRIQVEH
PVTEMITGVDLIKEQLRIAAGQPLSIKQEEVHVRGHAVECRINAEDPNTF
LPSPGKITRFHAPGGFGVRWESHIYAGYTVPPYYDSMIGKLICYGENRDV
AIARMKNALQELIIDGIKTNVDLQIRIMNDENFQHGGTNIHYLEKKL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3rv3 Chain A Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3rv3 Structural and biochemical studies on the regulation of biotin carboxylase by substrate inhibition and dimerization.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		E276 E288
Binding residue
(residue number reindexed from 1)		E279 E291
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K116 K159 D196 H209 R235 T274 E276 E288 N290 R292 E296 R338
Catalytic site (residue number reindexed from 1) K119 K162 D199 H212 R238 T277 E279 E291 N293 R295 E299 R341
Enzyme Commision number 6.3.4.14: biotin carboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003989 acetyl-CoA carboxylase activity
GO:0004075 biotin carboxylase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0045717 negative regulation of fatty acid biosynthetic process
GO:2001295 malonyl-CoA biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0009317 acetyl-CoA carboxylase complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3rv3, PDBe:3rv3, PDBj:3rv3
PDBsum3rv3
PubMed21592965
UniProtP24182|ACCC_ECOLI Biotin carboxylase (Gene Name=accC)

[Back to BioLiP]