Structure of PDB 1bdg Chain A Binding Site BS01

Receptor Information
>1bdg Chain A (length=444) Species: 6183 (Schistosoma mansoni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSDQQLFEKVVEILKPFDLSVVDYEEICDRMGESMRLGLQKSTNEKSSIK
MFPSYVTKTPNGTETGNFLALDLGGTNYRVLSVTLEGGKSPRIQERTYCI
PAEKMSGSGTELFKYIAETLADFLENNGMKDKKFDLGFTFSFPCVQKGLT
HATLVRWTKGFSADGVEGHNVAELLQTELDKRELNVKCVAVVNDTVGTLA
SCALEDPKCAVGLIVGTGTNVAYIEDSSKVELMDGVKEPEVVINTEWGAF
GEKGELDCWRTQFDKSMDIDSLHPGKQLYEKMVSGMYLGELVRHIIVYLV
EQKILFRGDLPERLKVRNSLLTRYLTDVERDPAHLLYNTHYMLTDDLHVP
VVEPIDNRIVRYACEMVVKRAAYLAGAGIACILRRINRSEVTVGVDGSLY
KFHPKFCERMTDMVDKLKPKNTRFCLRLSEDGSGKGAAAIAASC
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain1bdg Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bdg The structure of mammalian hexokinase-1.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		S155 F156 T172 K173 N208 D209 G233 N235 E260 E294
Binding residue
(residue number reindexed from 1)		S141 F142 T158 K159 N193 D194 G218 N220 E246 E280
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R91 S155 R170 D209
Catalytic site (residue number reindexed from 1) R79 S141 R156 D194
Enzyme Commision number 2.7.1.1: hexokinase.
Gene Ontology
Molecular Function
GO:0004340 glucokinase activity
GO:0004396 hexokinase activity
GO:0005524 ATP binding
GO:0005536 D-glucose binding
GO:0008865 fructokinase activity
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0019158 mannokinase activity
Biological Process
GO:0001678 intracellular glucose homeostasis
GO:0005975 carbohydrate metabolic process
GO:0006006 glucose metabolic process
GO:0006096 glycolytic process
GO:0016310 phosphorylation
GO:0019318 hexose metabolic process
GO:0046835 carbohydrate phosphorylation
GO:0051156 glucose 6-phosphate metabolic process
Cellular Component
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:1bdg, PDBe:1bdg, PDBj:1bdg
PDBsum1bdg
PubMed9665168
UniProtQ26609|HXK_SCHMA Hexokinase

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