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Receptor Information

>4fxf Chain D (length=502) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHG
THEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGT
AEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDG
LISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDL
KFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRR
FDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNRAGKPVICATQ
MLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQN
LIAREAEAAIYHLQLFEELRRLAPITSDPTEATAVGAVEASFKCCSGAII
VLTKSGRSAHQVARYRPRAPIIAVTRNPQTARQAHLYRGIFPVLCKDPVQ
EAWAEDVDLRVNFAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVP
VP

Ligand ID

ATP

InChI

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

ZKHQWZAMYRWXGA-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O

Formula

C10 H16 N5 O13 P3

Name

ADENOSINE-5'-TRIPHOSPHATE

PDB chain

4fxf Chain D Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4fxf M2 pyruvate kinase provides a mechanism for nutrient sensing and regulation of cell proliferation.
Resolution	2.55 Å
Binding residue (original residue number in PDB)	P53 R73 N75 H78 R120 K207 S362
Binding residue (residue number reindexed from 1)	P24 R44 N46 H49 R91 K178 S333
Annotation score	5

Catalytic site (original residue number in PDB)	R73 R120 K270 T328
Catalytic site (residue number reindexed from 1)	R44 R91 K241 T299
Enzyme Commision number	2.7.10.2: non-specific protein-tyrosine kinase. 2.7.11.1: non-specific serine/threonine protein kinase. 2.7.1.40: pyruvate kinase.

	Molecular Function
GO:0000287	magnesium ion binding
GO:0003723	RNA binding
GO:0003729	mRNA binding
GO:0003824	catalytic activity
GO:0004713	protein tyrosine kinase activity
GO:0004743	pyruvate kinase activity
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0016301	kinase activity
GO:0023026	MHC class II protein complex binding
GO:0030955	potassium ion binding
GO:0045296	cadherin binding
GO:0046872	metal ion binding

	Biological Process
GO:0006096	glycolytic process
GO:0006417	regulation of translation
GO:0012501	programmed cell death
GO:0016310	phosphorylation
GO:0032869	cellular response to insulin stimulus
GO:0061621	canonical glycolysis
GO:1903672	positive regulation of sprouting angiogenesis
GO:2000767	positive regulation of cytoplasmic translation

	Cellular Component
GO:0005576	extracellular region
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005791	rough endoplasmic reticulum
GO:0005829	cytosol
GO:0005929	cilium
GO:0031982	vesicle
GO:0034774	secretory granule lumen
GO:0062023	collagen-containing extracellular matrix
GO:0070062	extracellular exosome
GO:1903561	extracellular vesicle
GO:1904813	ficolin-1-rich granule lumen

PDB	RCSB:4fxf, PDBe:4fxf, PDBj:4fxf
PDBsum	4fxf
PubMed	23530218
UniProt	P14618\|KPYM_HUMAN Pyruvate kinase PKM (Gene Name=PKM)

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Structure of PDB 4fxf Chain D Binding Site BS03