Structure of PDB 2g25 Chain B

Receptor sequence

>2g25B (length=831) Species: 562 (Escherichia coli)

ISNYINTIPVEEQPEYPGNLELERRIRSAIRWNAIMTVLRASKKDLELGG
HMASFQSSATIYDVCFNHFFRARNEQDGGDLVYFQGHISPGVYARAFLEG
RLTQEQLDNFRQEVHGNGLSSYPHPKLMPEFWQFPTVSMGLGPIGAIYQA
KFLKYLEHRGLKDTSKQTVYAFLGDGEMDEPESKGAITIATREKLDNLVF
VINCNLQRLDGPVTGNGKIINELEGIFEGAGWNVIKVMWGSRWDELLRKD
TSGKLIQLMNETVDGDYQTFKSKDGAYVREHFFGKYPETAALVADWTDEQ
IWALNRGGHDPKKIYAAFKKAQETKGKATVILAHTIKGYGMGDAAEGKNI
AHQVKKMNMDGVRHIRDRFNVPVSDADIEKLPYITFPEGSEEHTYLHAQR
QKLHGYLPSRQPNFTEKLELPSLQDFGALLEEQSKEISTTIAFVRALNVM
LKNKSIKDRLVPIIADEARTFGMEGLFRQIGIYSPNGQQYTPQDREQVAY
YKEDEKGQILQEGINELGAGCSWLAAATSYSTNNLPMIPFYIYYSMFGFQ
RIGDLCWAAGDQQARGFLIGGTSGRTTLNGEGLQHEDGHSHIQSLTIPNC
ISYDPAYAYEVAVIMHDGLERMYGEKQENVYYYITTLNENYHMPAMPEGA
EEGIRKGIYKLETIEGSKGKVQLLGSGSILRHVREAAEILAKDYGVGSDV
YSVTSFTELARDGQDCERWNMLHPLETPRVPYIAQVMNDAPAVASTDYMK
LFAEQVRTYVPADDYRVLGTDGFGRSDSRENLRHHFEVDASYVVVAALGE
LAKRGEIDKKVVADAIAKFNIDADKVNPRLA

3D structure

• PDB: 2g25 A Thiamin-bound, Pre-decarboxylation Reaction Intermediate Analogue in the Pyruvate Dehydrogenase E1 Subunit Induces Large Scale Disorder-to-Order Transformations in the Enzyme and Reveals Novel Structural Features in the Covalently Bound Adduct.
• Chain: B
• Resolution: 2.1 Å

Enzymatic activity

• Enzyme Commision number: 1.2.4.1: pyruvate dehydrogenase (acetyl-transferring).

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	B	D230 N260 Q262	D175 N205 Q207
BS02	TDK	B	H106 S109 Q140 H142 Y177 V192 M194 G229 G231 E232 N260 Q262 R263 K392 H407	H51 S54 Q85 H87 Y122 V137 M139 G174 G176 E177 N205 Q207 R208 K337 H352
BS03	PO4	B	R79 R82 R86 Y394	R24 R27 R31 Y339
BS04	PO4	B	N695 R834	N640 R779
BS05	TDK	B	E522 I569 E571 Y599 F602 E636 H640	E467 I514 E516 Y544 F547 E581 H585

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0004738 pyruvate dehydrogenase activity
• GO:0004739 pyruvate dehydrogenase (acetyl-transferring) activity
• GO:0005515 protein binding
• GO:0016491 oxidoreductase activity
• GO:0030976 thiamine pyrophosphate binding
• GO:0036094 small molecule binding
• GO:0042802 identical protein binding
• GO:0042803 protein homodimerization activity
• GO:0046872 metal ion binding
• GO:0060090 molecular adaptor activity

Biological Process

• GO:0042867 pyruvate catabolic process

Cellular Component

• GO:0005829 cytosol
• GO:0016020 membrane
• GO:0045254 pyruvate dehydrogenase complex

External links

• PDB: RCSB:2g25, PDBe:2g25, PDBj:2g25
• PDBsum: 2g25
• PubMed: 16531404
• UniProt: P0AFG8|ODP1_ECOLI Pyruvate dehydrogenase E1 component (Gene Name=aceE)