Structure of PDB 4bb9 Chain A Binding Site BS01

Receptor Information
>4bb9 Chain A (length=596) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RFQHVIETPEPGKWELSGYEAAVPITEKSNPLTQDLDKADAENIVRLLGQ
CDAEIFQESTYQRLYSESILTTMVQVAGKVQEVLKEPDGGLVVLSGGGTS
GRMAFLMSVSFNQLMKGLGQKPLYTYLIAGGDRSVVASREGTEDSALHGI
EELKKVAAGKKRVIVIGISVGLSAPFVAGQMDCCMNNTAVFLPVLVGFNP
VSMARNDPIEDWSSTFRQVAERMQKMQEKQKAFVLNPAIGPEGLSGSSRM
KGGSATKILLETLLLAAHKTVDQGIAASQRCLLEILRTFERAHQVTYSQS
PKIATLMKSVSTSLETTGHVYLVGWQTLGIIAIMDGVECIHTFGADFRDV
RGFLIGDHSDMFNQKAELTNQGPQFTFSQEDFLTSILPSLTEIDTVVFIF
TLDDNLTEVQTIVEQVKEKTNHIQALAHSTVGQTLPIPLKKLFPSIISIT
WPLLFFEYEGNFIQKFQRELSTKWVLNTVSTGAHVLLGKILQNHMLDLRI
SNSKLFWRALAMLQRFSGQSKARCIESLLRAIHFPQPLSDDIRAAPISCH
VQVAHEKEQVIPIALLSLLFRCSITEAQAHLAAAPSVCEAVRSALA
Ligand information
Ligand IDF1P
InChIInChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
InChIKeyHXRNACQBNUPKDX-ARQDHWQXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)(COP(=O)(O)O)O)O)O)O
CACTVS 3.341O[CH]1CO[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O
ACDLabs 10.04O=P(O)(O)OCC1(O)OCC(O)C(O)C1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@](O)(CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
FormulaC6 H13 O9 P
Name1-O-phosphono-beta-D-fructopyranose;
BETA-D-FRUCTOPYRANOSE-1-PHOSPHATE;
((2R,3S,4R,5R)-TETRAHYDRO-2,3,4,5-TETRAHYDROXY-2H-PYRAN-2-YL)METHYL DIHYDROGEN PHOSPHATE;
1-O-phosphono-beta-D-fructose;
1-O-phosphono-D-fructose;
1-O-phosphono-fructose
ChEMBL
DrugBank
ZINC
PDB chain4bb9 Chain A Residue 702 [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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PDB4bb9 Crystal Structure of Glucokinase Regulatory Protein.
Resolution1.47 Å
Binding residue
(original residue number in PDB)
G107 G108 S110 E153 S179 V180 G181 E348 H351 N512 K514
Binding residue
(residue number reindexed from 1)
G97 G98 S100 E143 S169 V170 G171 E338 H341 N502 K504
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=6.00,Kd=1uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004857 enzyme inhibitor activity
GO:0005515 protein binding
GO:0019210 kinase inhibitor activity
GO:0019899 enzyme binding
GO:0030246 carbohydrate binding
GO:0070095 fructose-6-phosphate binding
GO:0097367 carbohydrate derivative binding
GO:0141089 glucose sensor activity
Biological Process
GO:0006606 protein import into nucleus
GO:0009749 response to glucose
GO:0009750 response to fructose
GO:0033132 negative regulation of glucokinase activity
GO:0042593 glucose homeostasis
GO:0046415 urate metabolic process
GO:0070328 triglyceride 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:4bb9, PDBe:4bb9, PDBj:4bb9
PDBsum4bb9
PubMed23621087
UniProtQ14397|GCKR_HUMAN Glucokinase regulatory protein (Gene Name=GCKR)

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