Structure of PDB 5scg Chain B

Receptor sequence

>5scgB (length=436) Species: 9606 (Homo sapiens)

RADVAQLTQELGTAFFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSI
IATIGPASRSVERLKEMIKAGMNIARLNFSHGSHEYHAESIANVREAVES
FAGSPLSYRPVAIALDTKGPGSGPGLSEQDVRDLRFGVEHGVDIVFASFV
RKASDVAAVRAALGPEGHGIKIISKIENHEGVKRFDEILEVSDGIMVARG
DLGIEIPAEKVFLAQKMMIGRCNLAGKPVVCATQMLESMITKPRPTRAET
SDVANAVLDGADCIMLSGETAKGNFPVEAVKMQHAIAREAEAAVYHRQLF
EELRRAAPLSRDPTEVTAIGAVEAAFKCCAAAIIVLTTTGRSAQLLSRYR
PRAAVIAVTRSAQAARQVHLCRGVFPLLYREPPEAIWADDVDRRVQFGIE
SGKLRGFLRVGDLVIVVTGWRPGSGYTNIMRVLSIS

3D structure

• PDB: 5scg Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
• Chain: B
• Resolution: 1.937 Å

Enzymatic activity

• Enzyme Commision number: 2.7.1.40: pyruvate kinase.

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	FBP	B	L443 T444 T445 T446 S449 W494 R501 G526 R528 G530 S531 Y533 T534	L336 T337 T338 T339 S342 W387 R394 G419 R421 G423 S424 Y426 T427
BS02	OXL	B	K282 E284 A305 G307 D308 T340	K175 E177 A198 G200 D201 T233
BS03	I99	B	P65 N87 H90 G91 Y95 G375 A378	P56 N78 H81 G82 Y86 G268 A271
BS04	MG	B	E284 D308	E177 D201

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0004743 pyruvate kinase activity
• GO:0030955 potassium ion binding

Biological Process

• GO:0006096 glycolytic process

External links

• PDB: RCSB:5scg, PDBe:5scg, PDBj:5scg
• PDBsum: 5scg
• PubMed: 35290845
• UniProt: P30613|KPYR_HUMAN Pyruvate kinase PKLR (Gene Name=PKLR)