Structure of PDB 5scf Chain B

Receptor sequence

>5scfB (length=434) Species: 9606 (Homo sapiens)

RADVAQLTQELGTAFFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSI
IATIGPASRSVERLKEMIKAGMNIARLNFSHGSHEYHAESIANVREAVES
FAGSPLSYRPVAIALDTKGPGPGLSEQDVRDLRFGVEHGVDIVFASFVRK
ASDVAAVRAALGPEGHGIKIISKIENHEGVKRFDEILEVSDGIMVARGDL
GIEIPAEKVFLAQKMMIGRCNLAGKPVVCATQMLESMITKPRPTRAETSD
VANAVLDGADCIMLSGETAKGNFPVEAVKMQHAIAREAEAAVYHRQLFEE
LRRAAPLSRDPTEVTAIGAVEAAFKCCAAAIIVLTTTGRSAQLLSRYRPR
AAVIAVTRSAQAARQVHLCRGVFPLLYREPPEAIWADDVDRRVQFGIESG
KLRGFLRVGDLVIVVTGWRPGSGYTNIMRVLSIS

3D structure

• PDB: 5scf Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
• Chain: B
• Resolution: 2.185 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	B	L443 T444 T445 T446 S449 W494 R501 G526 R528 G530 S531 G532 Y533	L334 T335 T336 T337 S340 W385 R392 G417 R419 G421 S422 G423 Y424
BS02	OXL	B	K282 E284 A305 G307 D308 T340	K173 E175 A196 G198 D199 T231
BS03	I91	B	T62 P65 N87 H90 G91 Y95 S374 G375 A378 K379	T53 P56 N78 H81 G82 Y86 S265 G266 A269 K270

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