Structure of PDB 7kh7 Chain A

Receptor sequence

>7kh7A (length=317) Species: 1280 (Staphylococcus aureus)

TTVYYDQDVKTDALQGKKIAVVGYGSQGHAHAQNLYDVVIGIRPGRSFDK
AKEDGFDVFPVAEAVKQADVIMVLLPDEIQGDVYKNEIEPNLEKHNALAF
AHGFNIHFGVIQPPADVDVFLVAPKGPGHLVRRTFVEGSAVPSLFGIQQD
ASARNIALSYAKGIGATRAGVIETTFKEETETDLFGEQAVLCGGVSKLIQ
SGFETLVEAGYQPELAYFEVLHEMKLIVDLMYEGGMENVRYSISNTAEFG
DYVSGPRVITPDVKENMKAVLTDIQNGNFSNRFIEDNKNGFKEFYKLREE
QHGHQIEKVGRELREMM

3D structure

• PDB: 7kh7 Discovery of a Pyrimidinedione Derivative with Potent Inhibitory Activity against Mycobacterium tuberculosis Ketol-Acid Reductoisomerase.
• Chain: A
• Resolution: 2.63 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	NAP	A	Y25 G26 S27 Q28 I47 R48 S52 L79 L80 P81 D82 A106	Y24 G25 S26 Q27 I42 R43 S47 L74 L75 P76 D77 A101
BS02	NDP	A	Y25 G26 S27 Q28 I47 R48 S52 L79 L80 P81 D82 A106	Y24 G25 S26 Q27 I42 R43 S47 L74 L75 P76 D77 A101
BS03	MG	A	D190 E194	D183 E187
BS04	MG	A	A73 E98 N101	A68 E93 N96
BS05	WBY	A	P132 D190 E194	P127 D183 E187
BS06	WBY	A	L233 S251	L226 S244

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004455 ketol-acid reductoisomerase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0050661 NADP 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

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:7kh7, PDBe:7kh7, PDBj:7kh7
• PDBsum: 7kh7
• PubMed: 33215746
• UniProt: Q2FWK4|ILVC_STAA8 Ketol-acid reductoisomerase (NADP(+)) (Gene Name=ilvC)