Structure of PDB 7pcn Chain A

Receptor sequence

>7pcnA (length=345) Species: 271848 (Burkholderia thailandensis E264)

DLIYQDEHASLQPLEGRTVAVIGYGIQGRAFAANLRDSGVAVRVGNIDDR
YFELARAEGHRVTNIAEAVAHADIVLLLIPDEAHGAVFDVDIAPNLRDGA
LLCVAHGHSLVQGDVRPLPGRDLAMLAPRMYGDPIRRYYLAGQGAPAYFD
IVADHTGRARDRVLAIARAVGFTRAGVMALGYRQETFLDLFQEQFLAPAL
VDLVETGFQVLVERGFNPKAALLEVYGSGEMGKMMLDGADIGLDEVVALQ
GSPTCQVGYHRWRGRTLPTAVRELAARVLDQIEGGDFSAYLKEQASNDYA
SLDDARRAALKRPLNVAHAQVRAAFRFPTEAAGGLYQAAQAPADV

3D structure

• PDB: 7pcn Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
• Chain: A
• Resolution: 1.6 Å

Enzymatic activity

• Enzyme Commision number: 1.1.1.86: ketol-acid reductoisomerase (NADP(+)).

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	NAI	A	G25 G27 I28 Q29 N48 D51 Y53 I81 P82 D83 A85 V89 A107 H108 Y133	G23 G25 I26 Q27 N46 D49 Y51 I79 P80 D81 A83 V87 A105 H106 Y131
BS02	MG	A	D191 E195	D189 E193
BS03	7BI	A	E232 G253 S254 C257	E230 G251 S252 C255
BS04	78I	A	E232 G253 S254 C257	E230 G251 S252 C255
BS05	7BI	A	D191 Q194 E195	D189 Q192 E193
BS06	78I	A	D191 E195	D189 E193

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004455 ketol-acid reductoisomerase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0008652 amino acid biosynthetic process
• GO:0009082 branched-chain amino acid biosynthetic process
• GO:0009097 isoleucine biosynthetic process
• GO:0009099 L-valine biosynthetic process

External links

• PDB: RCSB:7pcn, PDBe:7pcn, PDBj:7pcn
• PDBsum: 7pcn
• PubMed: 35906404
• UniProt: Q2T3G7