Structure of PDB 2q5q Chain B

Receptor sequence

>2q5qB (length=535) Species: 192 (Azospirillum brasilense)

HMKLAEALLRALKDRGAQAMFGIPGDFALPFFKVAEETQILPLHTLSHEP
AVGFAADAAARYSSTLGVAAVTYGAGAFNMVNAVAGAYAEKSPVVVISGA
PGTTEGNAGLLLHHQGRTLDTQFQVFKEITVAQARLDDPAKAPAEIARVL
GAARAQSRPVYLEIPRNMVNAEVEPVGDDPAWPVDRDALAACADEVLAAM
RSATSPVLMVCVEVRRYGLEAKVAELAQRLGVPVVTTFMGRGLLADAPTP
PLGTYIGVAGDAEITRLVEESDGLFLLGAILSDTNFAVSQRKIDLRKTIH
AFDRAVTLGYHTYADIPLAGLVDALLERLPPSEPHAYPTGLQADGEPIAP
MDIARAVNDRVRAGQEPLLIAADMGDCLFTAMDMIDAGLMAPGYYAGMGF
GVPAGIGAQCVSGGKRILTVVGDGAFQMTGWELGNCRRLGIDPIVILFNN
ASWEMLRTFQPESAFNDLDDWRFADMAAGMGGDGVRVRTRAELKAALDKA
FATRGRFQLIEAMIPRGVLSDTLARFVQGQKRLHA

3D structure

• PDB: 2q5q Molecular mechanism of allosteric substrate activation in a thiamine diphosphate-dependent decarboxylase.
• Chain: B
• 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): I23 G25 D26 F27 A28 E49 T72 H113 H114 G116 R117 T118 L119 R166 V258 N285 M374 A396 M398 D423 N450 S452 W453 M455 L456 F459 R516
• 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	TPW	B	P23 E48 A74	P24 E49 A75
BS02	KPV	B	D282 T283 F532 Q536	D283 T284 F526 Q530
BS03	MG	B	D429 N456 S458	D423 N450 S452
BS04	TPW	B	D382 M404 G428 D429 G430 N456 S458 W459 E460 M461 L462	D376 M398 G422 D423 G424 N450 S452 W453 E454 M455 L456
BS05	KPV	B	D25 H112 H113	D26 H113 H114
BS06	KPV	B	R60 R214 R215 M238 R240 L375 L395 M396 A397	R61 R215 R216 M239 R241 L369 L389 M390 A391

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)