Structure of PDB 5scc Chain G

Receptor sequence

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

GTAFFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSIIATIGPASRSV
ERLKEMIKAGMNIARLNFSHGSHEYHAESIANVREAVESFAGSPLSYRPV
AIALDTKGPPGLSEQDVRDLRFGVEHGVDIVFASFVRKASDVAAVRAALG
PEGHGIKIISKIENHEGVKRFDEILEVSDGIMVARGDLGIEIPAEKVFLA
QKMMIGRCNLAGKPVVCATQMLESMITKPRPTRAETSDVANAVLDGADCI
MLSGETAKGNFPVEAVKMQHAIAREAEAAVYHRQLFEELRRAAPLSRDPT
EVTAIGAVEAAFKCCAAAIIVLTTTGRSAQLLSRYRPRAAVIAVTRSAQA
ARQVHLCRGVFPLLYREPPEAIWADDVDRRVQFGIESGKLRGFLRVGDLV
IVVTGWRPGSGYTNIMRVLSIS

3D structure

• PDB: 5scc Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
• Chain: G
• Resolution: 1.885 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	G	L443 T444 T445 T446 S449 W494 R501 G526 R528 P529 G530 S531 G532 Y533 T534	L322 T323 T324 T325 S328 W373 R380 G405 R407 P408 G409 S410 G411 Y412 T413
BS02	OXL	G	K282 E284 A305 G307 D308 T340	K161 E163 A184 G186 D187 T219
BS03	I8Q	G	P65 H90 G91 Y95 H96 S374 G375 K379	P45 H70 G71 Y75 H76 S253 G254 K258
BS04	MG	G	E284 D308	E163 D187

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