Structure of PDB 2vqd Chain A Binding Site BS02

Receptor Information
>2vqd Chain A (length=447) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLEKVLIANRGEIALRILRACKELGIKTVAVHSTADRELMHLSLADESVC
IGPAPATQSYLQIPAIIAAAEVTGATAIHPGYGFLAENADFAEQIERSGF
TFVGPTAEVIRLMGDKVSAKDAMKRAGVPTVPGSDGPLPEDEETALAIAR
EVGYPVIIKAAGGGGGRGMRVVYDESELIKSAKLTRTEAGAAFGNPMVYL
EKFLTNPRHVEVQVLSDGQGNAIHLGDRDCSLQRRHQKVIEEAPAPGIDE
KARQEVFARCVQACIEIGYRGAGTFEFLYENGRFYFIEMNTRVQVEHPVS
EMVTGVDIVKEMLRIASGEKLSIRQEDVVIRGHALECRINAEDPKTFMPS
PGKVKHFHAPGGNGVRVDSHLYSGYSVPPNYDSLVGKVITYGADRDEALA
RMRNALDELIVDGIKTNTELHKDLVRDAAFCKGGVNIHYLEKKLGMD
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 chain2vqd Chain A Residue 1449 [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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PDB2vqd Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		E276 E288
Binding residue
(residue number reindexed from 1)		E276 E288
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K116 K159 P196 H209 R235 T274 E276 E288 N290 R292 E296 R338
Catalytic site (residue number reindexed from 1) K116 K159 P196 H209 R235 T274 E276 E288 N290 R292 E296 R338
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:0005524 ATP binding
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:2001295 malonyl-CoA biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2vqd, PDBe:2vqd, PDBj:2vqd
PDBsum2vqd
PubMed18725455
UniProtP37798|ACCC_PSEAE Biotin carboxylase (Gene Name=accC)

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