Structure of PDB 2q5j Chain B Binding Site BS02

Receptor Information
>2q5j Chain B (length=530) Species: 192 (Azospirillum brasilense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLAEALLRALKDRGAQAMFGIPGDFALPFFKVAEETQILPLHTLSHEPA
VGFAADAAARYSSTLGVAAVTYGAGAFNMVNAVAGAYAEKSPVVVISGAP
GTTEGNAGLLDTQFQVFKEITVAQARLDDPAKAPAEIARVLGAARAQSRP
VYLEIPRNMVNAEVEPVGDDPAWPVDRDALAACADEVLAAMRSATSPVLM
VCVEVRRYGLEAKVAELAQRLGVPVVTTFMGRGLLADAPTPPLGTYIGVA
GDAEITRLVEESDGLFLLGAILSDTNFAVSQRKIDLRKTIHAFDRAVTLG
YHTYADIPLAGLVDALLERLPPSDRTTRGKEPHAYPTGLQADGEPIAPMD
IARAVNDRVRAGQEPLLIAADMGDCLFTAMDMIDAGLMAPGYYAGMGFGV
PAGIGAQCVSGGKRILTVVGDGAFQMTGWELGNCRRLGIDPIVILFNNAS
WEMLRTFQPESAFNDLDDWRFADMAAGMGGDGVRVRTRAELKAALDKAFA
TRGRFQLIEAMIPRGVLSDTLARFVQGQKR
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 chain2q5j Chain B Residue 2001 [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]
PDB2q5j Molecular mechanism of allosteric substrate activation in a thiamine diphosphate-dependent decarboxylase.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		D429 N456
Binding residue
(residue number reindexed from 1)		D421 N448
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) I22 G24 D25 F26 A27 E48 T71 R165 V257 N284 M380 A402 M404 D429 N456 S458 W459 M461 L462 F465 R522
Catalytic site (residue number reindexed from 1) I22 G24 D25 F26 A27 E48 T71 R157 V249 N276 M372 A394 M396 D421 N448 S450 W451 M453 L454 F457 R514
Enzyme Commision number 4.1.1.74: indolepyruvate decarboxylase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0016831 carboxy-lyase activity
GO:0030976 thiamine pyrophosphate binding
GO:0047434 indolepyruvate decarboxylase activity
Biological Process
GO:0009851 auxin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2q5j, PDBe:2q5j, PDBj:2q5j
PDBsum2q5j
PubMed17905741
UniProtP51852|DCIP_AZOBR Indole-3-pyruvate decarboxylase (Gene Name=ipdC)

[Back to BioLiP]