Structure of PDB 4gno Chain A Binding Site BS03

Receptor Information
>4gno Chain A (length=613) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPQLHNGLDFSAKVIQGSLDSLPQEVRKFVEGNAQLCQPEYIHICDGSEE
EYGRLLAHMQEEGVIRKLKKYDNCWLALTDPRDVARIESKTVIITQEQRD
TVPIPKSGQSQLGRWMSEEDFEKAFNARFPGCMKGRTMYVIPFSMGPLGS
PLAKIGIELTDSPYVVASMRIMTRMGTSVLEALGDGEFIKCLHSVGCPLP
LKKPLVNNWACNPELTLIAHLPDRREIISFGSGYGGNSLLGKKCFALRIA
SRLAKEEGWLAEHMLILGITNPEGKKKYLAAAFPSACGKTNLAMMNPTLP
GWKVECVGDDIAWMKFDAQGNLRAINPENGFFGVAPGTSVKTNPNAIKTI
QKNTIFTNVAETSDGGVYWEGIDEPLAPGVTITSWKNKEWRPQDEEPCAH
PNSRFCTPASQCPIIDPAWESPEGVPIEGIIFGGRRPAGVPLVYEALSWQ
HGVFVGAAMRSEGGGIMHDPFAMRPFFGYNFGKYLAHWLSMAHRPAAKLP
KIFHVNWFRKDKNGKFLWPGFGENSRVLEWMFGRIEGEDSAKLTPIGYVP
KEDALNLKGLGDVNVEELFGISKEFWEKEVEEIDKYLEDQVNADLPYEIE
RELRALKQRISQM
Ligand information
Ligand IDSPV
InChIInChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)
InChIKeyBUTHMSUEBYPMKJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)C(=O)C[S](O)(=O)=O
ACDLabs 10.04O=C(O)C(=O)CS(=O)(=O)O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)S(=O)(=O)O
FormulaC3 H4 O6 S
NameSULFOPYRUVATE
ChEMBL
DrugBankDB02156
ZINCZINC000004096823
PDB chain4gno Chain A Residue 705 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4gno The {Omega}-loop lid domain of phosphoenolpyruvate carboxykinase is essential for catalytic function.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		R87 G237 K243 K244 H264 S286 R405
Binding residue
(residue number reindexed from 1)		R86 G236 K242 K243 H263 S285 R404
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R87 Y235 K244 H264 S286 C288 D311 R405
Catalytic site (residue number reindexed from 1) R86 Y234 K243 H263 S285 C287 D310 R404
Enzyme Commision number 2.7.11.-
4.1.1.32: phosphoenolpyruvate carboxykinase (GTP).
Gene Ontology
Molecular Function
GO:0004611 phosphoenolpyruvate carboxykinase activity
GO:0004613 phosphoenolpyruvate carboxykinase (GTP) activity
GO:0005525 GTP binding
GO:0017076 purine nucleotide binding
Biological Process
GO:0006094 gluconeogenesis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4gno, PDBe:4gno, PDBj:4gno
PDBsum4gno
PubMed23127136
UniProtP07379|PCKGC_RAT Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Gene Name=Pck1)

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