Structure of PDB 2g50 Chain F Binding Site BS02

Receptor Information
>2g50 Chain F (length=515) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FIQTQQLHAAMADTFLEHKCRLDIDSAPITARNTGIICTIGPASRSVETL
KEMIKSGMNVARMNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVA
LDTKGPEIRTGLIKTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNI
CKVVDVGSKVYVDDGLISLQVKQKDFLVTEVENGGFLGSKKGVNLPGAAV
DLPAVSEKDIQDLKFGVEQDVDMVFASFIRKAADVHEVRKILGEKGKNIK
IISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMIIGR
CNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETA
KGDYPLEAVRMQHLIAREAEAAMFHRKLFEELARASSQSTDLMEAMAMGS
VEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNHQTARQAHLY
RGIFPVVCKDPVQEAWAEDVDLRVNLAMNVGKARGFFKKGDVVIVLTGWR
PGSGFTNTMRVVPVP
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 chain2g50 Chain F Residue 6106 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2g50 Differentiating a Ligand's Chemical Requirements for Allosteric Interactions from Those for Protein Binding. Phenylalanine Inhibition of Pyruvate Kinase.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		N43 N69 H463 I468 F469
Binding residue
(residue number reindexed from 1)		N33 N59 H448 I453 F454
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R72 R119 K269 T327
Catalytic site (residue number reindexed from 1) R62 R109 K254 T312
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:2g50, PDBe:2g50, PDBj:2g50
PDBsum2g50
PubMed16634623
UniProtP11974|KPYM_RABIT Pyruvate kinase PKM (Gene Name=PKM)

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