Structure of PDB 5sci Chain F

Receptor sequence

>5sciF (length=433) Species: 9606 (Homo sapiens)

ADVAQLTQELGTAFFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSII
ATIGPASRSVERLKEMIKAGMNIARLNFSHGSHEYHAESIANVREAVESF
AGSPLSYRPVAIALDTKGPGPGLSEQDVRDLRFGVEHGVDIVFASFVRKA
SDVAAVRAALGPEGHGIKIISKIENHEGVKRFDEILEVSDGIMVARGDLG
IEIPAEKVFLAQKMMIGRCNLAGKPVVCATQMLESMITKPRPTRAETSDV
ANAVLDGADCIMLSGETAKGNFPVEAVKMQHAIAREAEAAVYHRQLFEEL
RRAAPLSRDPTEVTAIGAVEAAFKCCAAAIIVLTTTGRSAQLLSRYRPRA
AVIAVTRSAQAARQVHLCRGVFPLLYREPPEAIWADDVDRRVQFGIESGK
LRGFLRVGDLVIVVTGWRPGSGYTNIMRVLSIS

3D structure

• PDB: 5sci Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
• Chain: F
• Resolution: 2.155 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	F	L443 T444 T445 T446 S449 W494 R501 G526 R528 G530 S531 Y533 T534	L333 T334 T335 T336 S339 W384 R391 G416 R418 G420 S421 Y423 T424
BS02	OXL	F	K282 E284 A305 G307 D308 T340	K172 E174 A195 G197 D198 T230
BS03	MG	F	E284 D308	E174 D198
BS04	I9F	F	P65 N87 H90 G91 Y95 S374 G375 A378 K379	P55 N77 H80 G81 Y85 S264 G265 A268 K269

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