Structure of PDB 6q91 Chain A Binding Site BS01
Receptor Information
>6q91 Chain A (length=392) Species:
9606
(Homo sapiens) [
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HAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQG
LVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLE
PGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATY
TFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALL
IDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARAL
GAASLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDY
RAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGG
CTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL
Ligand information
Ligand ID
GAL
InChI
InChI=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
InChIKey
WQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
Software
SMILES
CACTVS 3.370
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2
C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01
OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
Formula
C6 H12 O6
Name
beta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBL
CHEMBL300520
DrugBank
ZINC
ZINC000002597049
PDB chain
6q91 Chain A Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
6q91
Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
E43 H44 D46 Y47 C182 G183 M185 D186 Y236 G346
Binding residue
(residue number reindexed from 1)
E43 H44 D46 Y47 C182 G183 M185 D186 Y236 G346
Annotation score
5
Enzymatic activity
Enzyme Commision number
2.7.1.6
: galactokinase.
Gene Ontology
Molecular Function
GO:0004335
galactokinase activity
GO:0005515
protein binding
GO:0005524
ATP binding
GO:0005534
galactose binding
GO:0016301
kinase activity
GO:0016773
phosphotransferase activity, alcohol group as acceptor
Biological Process
GO:0006012
galactose metabolic process
GO:0016310
phosphorylation
GO:0019402
galactitol metabolic process
GO:0033499
galactose catabolic process via UDP-galactose
GO:0046835
carbohydrate phosphorylation
GO:0061623
glycolytic process from galactose
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0016020
membrane
GO:0070062
extracellular exosome
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:6q91
,
PDBe:6q91
,
PDBj:6q91
PDBsum
6q91
PubMed
UniProt
P51570
|GALK1_HUMAN Galactokinase (Gene Name=GALK1)
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