Structure of PDB 8f6m Chain D Binding Site BS03

Receptor Information
>8f6m Chain D (length=522) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAFIQTQQLHAAMADTFLEHMCRLDIDSAPITARNTGIICTIGPASRSVE
TLKEMIKSGMNVARMNFSHGTHEYHAETIKNVRTATESFASDPILYRPVA
VALDTKGPEIRTGLIKGSGTAEVELKKGATLKITLDNAYMEKCDENILWL
DYKNICKVVDVGSKVYVDDGLISLQVKQKGPDFLVTEVENGGFLGSKKGV
NLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKAADVHEVRKILG
EKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLA
QKMIIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCI
MLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELARASSHSTDLM
EAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNHQT
ARQAHLYRGIFPVVCKDPVQEAWAEDVDLRVNLAMNVGKARGFFKKGDVV
IVLTGWRPGSGFTNTMRVVPVP
Ligand information
Ligand IDALA
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N
FormulaC3 H7 N O2
NameALANINE
ChEMBLCHEMBL279597
DrugBankDB00160
ZINCZINC000004658553
PDB chain8f6m Chain D Residue 1007 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8f6m PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		N43 N69 H463 I468 F469
Binding residue
(residue number reindexed from 1)		N35 N61 H455 I460 F461
Annotation score1
Enzymatic activity
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.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion 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:0030955 potassium ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006096 glycolytic process
GO:0006417 regulation of translation
GO:0016310 phosphorylation
GO:0032869 cellular response to insulin stimulus
GO:1903672 positive regulation of sprouting angiogenesis
GO:2000767 positive regulation of cytoplasmic translation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005791 rough endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8f6m, PDBe:8f6m, PDBj:8f6m
PDBsum8f6m
PubMed37171062
UniProtP11974|KPYM_RABIT Pyruvate kinase PKM (Gene Name=PKM)

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