Structure of PDB 2rka Chain C Binding Site BS01

Receptor Information
>2rka Chain C (length=614) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLHNGLDFSAKVIQGSLDSLPQEVRKFVEGNAQLCQPEYIHICDGSEEEY
GRLLAHMQEEGVIRKLKKYDNCWLALTDPRDVARIESKTVIITQEQRDTV
PIPKSGQSQLGRWMSEEDFEKAFNARFPGCMKGRTMYVIPFSMGPLGSPL
AKIGIELTDSPYVVASMRIMTRMGTSVLEALGDGEFIKCLHSVGCPLPLK
KPLVNNWACNPELTLIAHLPDRREIISFGSGYGGNSLLGKKCFALRIASR
LAKEEGWLAEHMLILGITNPEGKKKYLAAAFPSACGKTNLAMMNPTLPGW
KVECVGDDIAWMKFDAQGNLRAINPENGFFGVAPGTSVKTNPNAIKTIQK
NTIFTNVAETSDGGVYWEGIDEPLAPGVTITSWKNKEWRPQDEEPCAHPN
SRFCTPASQCPIIDPAWESPEGVPIEGIIFGGRRPAGVPLVYEALSWQHG
VFVGAAMRSEATKGKVIMHDPFAMRPFFGYNFGKYLAHWLSMAHRPAAKL
PKIFHVNWFRKDKNGKFLWPGFGENSRVLEWMFGRIEGEDSAKLTPIGYV
PKEDALNLKGLGDVNVEELFGISKEFWEKEVEEIDKYLEDQVNADLPYEI
ERELRALKQRISQM
Ligand information
Ligand IDPGA
InChIInChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKeyASCFNMCAHFUBCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(=O)O
FormulaC2 H5 O6 P
Name2-PHOSPHOGLYCOLIC ACID
ChEMBLCHEMBL47181
DrugBankDB02726
ZINCZINC000003869735
PDB chain2rka Chain C Residue 623 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2rka Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		R87 G237 K244 F333 R405
Binding residue
(residue number reindexed from 1)		R84 G234 K241 F330 R402
Annotation score1
Binding affinityMOAD: Ki=1mM
Enzymatic activity
Enzyme Commision number 2.7.11.-
4.1.1.32: phosphoenolpyruvate carboxykinase (GTP).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004550 nucleoside diphosphate kinase activity
GO:0004611 phosphoenolpyruvate carboxykinase activity
GO:0004613 phosphoenolpyruvate carboxykinase (GTP) activity
GO:0005525 GTP binding
GO:0016301 kinase activity
GO:0016831 carboxy-lyase activity
GO:0017076 purine nucleotide binding
GO:0019003 GDP binding
GO:0030145 manganese ion binding
GO:0031406 carboxylic acid binding
GO:0046872 metal ion binding
GO:0106264 protein serine kinase activity (using GTP as donor)
Biological Process
GO:0006006 glucose metabolic process
GO:0006094 gluconeogenesis
GO:0006107 oxaloacetate metabolic process
GO:0006629 lipid metabolic process
GO:0009617 response to bacterium
GO:0014823 response to activity
GO:0016310 phosphorylation
GO:0018105 peptidyl-serine phosphorylation
GO:0019543 propionate catabolic process
GO:0031667 response to nutrient levels
GO:0032496 response to lipopolysaccharide
GO:0032868 response to insulin
GO:0032869 cellular response to insulin stimulus
GO:0033993 response to lipid
GO:0042593 glucose homeostasis
GO:0042594 response to starvation
GO:0043382 positive regulation of memory T cell differentiation
GO:0043648 dicarboxylic acid metabolic process
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0046166 glyceraldehyde-3-phosphate biosynthetic process
GO:0046327 glycerol biosynthetic process from pyruvate
GO:0046889 positive regulation of lipid biosynthetic process
GO:0046890 regulation of lipid biosynthetic process
GO:0051365 cellular response to potassium ion starvation
GO:0070365 hepatocyte differentiation
GO:0070741 response to interleukin-6
GO:0071300 cellular response to retinoic acid
GO:0071320 cellular response to cAMP
GO:0071332 cellular response to fructose stimulus
GO:0071333 cellular response to glucose stimulus
GO:0071347 cellular response to interleukin-1
GO:0071356 cellular response to tumor necrosis factor
GO:0071377 cellular response to glucagon stimulus
GO:0071456 cellular response to hypoxia
GO:0071474 cellular hyperosmotic response
GO:0071475 cellular hyperosmotic salinity response
GO:0071476 cellular hypotonic response
GO:0071477 cellular hypotonic salinity response
GO:0071549 cellular response to dexamethasone stimulus
GO:0072350 tricarboxylic acid metabolic process
GO:0097403 cellular response to raffinose
GO:1904628 cellular response to phorbol 13-acetate 12-myristate
GO:1904640 response to methionine
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2rka, PDBe:2rka, PDBj:2rka
PDBsum2rka
PubMed18197707
UniProtP07379|PCKGC_RAT Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Gene Name=Pck1)

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