Structure of PDB 2q5q Chain A

Receptor sequence

>2q5qA (length=533) Species: 192 (Azospirillum brasilense)

SHMKLAEALLRALKDRGAQAMFGIPGDFALPFFKVAEETQILPLHTLSHE
PAVGFAADAAARYSSTLGVAAVTYGAGAFNMVNAVAGAYAEKSPVVVISG
APGTTEGNAGLLLHHQGRTLDTQFQVFKEITVAQARLDDPAKAPAEIARV
LGAARAQSRPVYLEIPRNMVNAEVEPVGDDPAWPVDRDALAACADEVLAA
MRSATSPVLMVCVEVRRYGLEAKVAELAQRLGVPVVTTFMGRGLLADAPT
PPLGTYIGVAGDAEITRLVEESDGLFLLGAILSDTNFAVSQRKIDLRKTI
HAFDRAVTLGYHTYADIPLAGLVDALLERLPPSDGKEPHAYPTGLQADGE
PIAPMDIARAVNDRVRAGQEPLLIAADMGDCLFTAMDMIDAGLMAPGYYA
GMGFGVPAGIGAQCVSGGKRILTVVGDGAFQMTGWELGNCRRLGIDPIVI
LFNNASWEMLRTFQPESAFNDLDDWRFADMAAGMGGDGVRVRTRAELKAA
LDKAFATRGRFQLIEAMIPRGVLSDTLARFVQG

3D structure

• PDB: 2q5q Molecular mechanism of allosteric substrate activation in a thiamine diphosphate-dependent decarboxylase.
• Chain: A
• Resolution: 1.9 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): I22 G24 D25 F26 A27 E48 T71 H112 H113 G115 R116 T117 L118 R165 V257 N284 M380 A402 M404 D429 N456 S458 W459 M461 L462 F465 R522
• Catalytic site (residue number reindexed from 1): I24 G26 D27 F28 A29 E50 T73 H114 H115 G117 R118 T119 L120 R167 V259 N286 M378 A400 M402 D427 N454 S456 W457 M459 L460 F463 R520
• Enzyme Commision number: 4.1.1.74: indolepyruvate decarboxylase.

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	MG	A	D429 N456 S458	D427 N454 S456
BS02	TPW	A	D382 M404 G428 D429 G430 A431 N456 S458 W459 E460 M461 L462	D380 M402 G426 D427 G428 A429 N454 S456 W457 E458 M459 L460
BS03	KPV	A	G24 D25 H112 H113	G26 D27 H114 H115
BS04	KPV	A	R60 R214 R215 M238 R240 L375 L395 M396 A397	R62 R216 R217 M240 R242 L373 L393 M394 A395
BS05	TPW	A	P23 E48 A74	P25 E50 A76
BS06	KPV	A	D282 T283 A402 M461 F532	D284 T285 A400 M459 F530

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

External links

• PDB: RCSB:2q5q, PDBe:2q5q, PDBj:2q5q
• PDBsum: 2q5q
• PubMed: 17905741
• UniProt: P51852|DCIP_AZOBR Indole-3-pyruvate decarboxylase (Gene Name=ipdC)