Structure of PDB 5scb Chain A

Receptor sequence

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

QQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSIIATIGPASRSVERLKE
MIKAGMNIARLNFSHGSHEYHAESIANVREAVESFAGSPLSYRPVAIALD
TKGPGSGGLSEQDVRDLRFGVEHGVDIVFASFVRKASDVAAVRAALGPEG
HGIKIISKIENHEGVKRFDEILEVSDGIMVARGDLGIEIPAEKVFLAQKM
MIGRCNLAGKPVVCATQMLESMITKPRPTRAETSDVANAVLDGADCIMLS
GETAKGNFPVEAVKMQHAIAREAEAAVYHRQLFEELRRAAPLSRDPTEVT
AIGAVEAAFKCCAAAIIVLTTTGRSAQLLSRYRPRAAVIAVTRSAQAARQ
VHLCRGVFPLLYREPPEAIWADDVDRRVQFGIESGKLRGFLRVGDLVIVV
TGWRPGSGYTNIMRVLSIS

3D structure

• PDB: 5scb Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
• Chain: A
• Resolution: 1.8 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 G532 Y533 T534	L319 T320 T321 T322 S325 W370 R377 G402 R404 P405 G406 S407 G408 Y409 T410
BS02	OXL	A	K282 E284 A305 G307 D308 T340	K158 E160 A181 G183 D184 T216
BS03	I7V	A	T62 P65 N87 H90 Y95 S374 G375 K379	T37 P40 N62 H65 Y70 S250 G251 K255
BS04	MG	A	E284 D308	E160 D184

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