Structure of PDB 3w0l Chain B Binding Site BS01

Receptor Information
>3w0l Chain B (length=598) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRKYQHVIETPDPGKWELAGYEESLPISEKSNPMTRELDKADPSQLVQLL
RDCDAEIFQEEDENLIHYHRLYSESVLKTMGDVAKRVQEVLKNPDDSLVV
LSGCGTSGRLALLLANSFNGLLKGLHKTPCYCYIMSGGDRSIVTSQESSE
DNPQLGAQELEKVCEGKKNVLFIGISCGLSAPFIAGQLDFCMRHLDVYLP
VLVGFNPVSMARNERIEGWHSSFRQVAERLQTLHDSQKGFILNPAVGPEG
VSGSSRMKGGSATKILLETLLLVAHKAEVTEKCLLEILRTYERAHKVTYS
QSKKIAALMKQTATSLQKKGHLYILGWGTLGLVGIMDAVECVPTYQADWR
DVRGFITGGYHSIENKEGDLSSLGPQFSISHEDFVKNVLPSVSETDTVLL
IFTLDDDLNQIEKLVALVKEKTSNIQVICHATAGQYLPNSLKKTIPSIIG
LTWPILFLEYEGAFIQKFQRELSTKWILDTVTSGAYTLRGKIFRNFMVDF
KINNSKLFHRATSVLQRLTGQSQQRCTEVLLQSIYGEQTLSEQIRNTTIA
GHVEAAASQDKVLPVAIVSLLRSCTIQDSRSRINSSLSIRSAIESSMN
Ligand information
Ligand IDF6R
InChIInChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1
InChIKeyGSXOAOHZAIYLCY-HSUXUTPPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OCC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.6C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O
ACDLabs 12.01C(C(C(C(C(COP(O)(O)=O)O)O)O)=O)O
OpenEye OEToolkits 1.7.6C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O
CACTVS 3.385OCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
FormulaC6 H13 O9 P
NameFRUCTOSE -6-PHOSPHATE
ChEMBL
DrugBankDB04493
ZINCZINC000085994845
PDB chain3w0l Chain B Residue 701 [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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PDB3w0l Molecular basis for the role of glucokinase regulatory protein as the allosteric switch for glucokinase
Resolution2.92 Å
Binding residue
(original residue number in PDB)		C107 G108 T109 S179 C180 R259 E347 K513
Binding residue
(residue number reindexed from 1)		C104 G105 T106 S176 C177 R256 E340 K506
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=7.02,Kd=95nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004857 enzyme inhibitor activity
GO:0019899 enzyme binding
GO:0030246 carbohydrate binding
GO:0070095 fructose-6-phosphate binding
GO:0097367 carbohydrate derivative binding
Biological Process
GO:0009750 response to fructose
GO:0033132 negative regulation of glucokinase activity
GO:0042593 glucose homeostasis
GO:1901135 carbohydrate derivative metabolic process
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
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:3w0l, PDBe:3w0l, PDBj:3w0l
PDBsum3w0l
PubMed23733961
UniProtQ91754|GCKR_XENLA Glucokinase regulatory protein (Gene Name=gckr)

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