Structure of PDB 5scj Chain A

Receptor sequence

>5scjA (length=422) Species: 9606 (Homo sapiens)

AFFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSIIATIGPASRSVER
LKEMIKAGMNIARLNFSHGSHEYHAESIANVREAVESFAGSPLSYRPVAI
ALDTKGPGSGGLSEQDVRDLRFGVEHGVDIVFASFVRKASDVAAVRAALG
PEGHGIKIISKIENHEGVKRFDEILEVSDGIMVARGDLGIEIPAEKVFLA
QKMMIGRCNLAGKPVVCATQMLESMITKPRPTRAETSDVANAVLDGADCI
MLSGETAKGNFPVEAVKMQHAIAREAEAAVYHRQLFEELRRAAPLSRDPT
EVTAIGAVEAAFKCCAAAIIVLTTTGRSAQLLSRYRPRAAVIAVTRSAQA
ARQVHLCRGVFPLLYREPPEAIWADDVDRRVQFGIESGKLRGFLRVGDLV
IVVTGWRPGSGYTNIMRVLSIS

3D structure

• PDB: 5scj Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
• Chain: A
• Resolution: 2.354 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	A	L443 T444 T445 T446 S449 W494 R501 G526 R528 P529 G530 S531 Y533 T534	L322 T323 T324 T325 S328 W373 R380 G405 R407 P408 G409 S410 Y412 T413
BS02	OXL	A	K282 E284 A305 G307 D308 T340	K161 E163 A184 G186 D187 T219
BS03	MG	A	E284 D308	E163 D187
BS04	I9K	A	P65 N87 S89 H90 G91 Y95 S374 G375 A378 K379	P43 N65 S67 H68 G69 Y73 S253 G254 A257 K258

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