Structure of PDB 5sci Chain E

Receptor sequence

>5sciE (length=419) Species: 9606 (Homo sapiens)

AFFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSIIATIGPASRSVER
LKEMIKAGMNIARLNFSHGSHEYHAESIANVREAVESFAGSPLSYRPVAI
ALDTKGPGLSEQDVRDLRFGVEHGVDIVFASFVRKASDVAAVRAALGPEG
HGIKIISKIENHEGVKRFDEILEVSDGIMVARGDLGIEIPAEKVFLAQKM
MIGRCNLAGKPVVCATQMLESMITKPRPTRAETSDVANAVLDGADCIMLS
GETAKGNFPVEAVKMQHAIAREAEAAVYHRQLFEELRRAAPLSRDPTEVT
AIGAVEAAFKCCAAAIIVLTTTGRSAQLLSRYRPRAAVIAVTRSAQAARQ
VHLCRGVFPLLYREPPEAIWADDVDRRVQFGIESGKLRGFLRVGDLVIVV
TGWRPGSGYTNIMRVLSIS

3D structure

• PDB: 5sci Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
• Chain: E
• 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	E	L443 T444 T445 T446 S449 W494 R501 G526 R528 G530 S531 G532 Y533 T534	L319 T320 T321 T322 S325 W370 R377 G402 R404 G406 S407 G408 Y409 T410
BS02	OXL	E	K282 E284 A305 G307 D308 T340	K158 E160 A181 G183 D184 T216
BS03	MG	E	E284 D308	E160 D184
BS04	I9F	E	P65 N87 H90 G91 Y95 S374 G375 A378 K379	P43 N65 H68 G69 Y73 S250 G251 A254 K255

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)