Structure of PDB 1s46 Chain A Binding Site BS01

Receptor Information
>1s46 Chain A (length=628) Species: 489 (Neisseria polysaccharea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPNSQYLKTRILDIYTPEQRAGIEKSEDWRQFSRRMDTHFPKLMNELDSV
YGNNEALLPMLEMLLAQAWQSYSQRNSSLKDIDIARENNPDWILSNKQVG
GVCYVDLFAGDLKGLKDKIPYFQELGLTYLYLMPLFKCPEGKSDGGYAVS
SYRDVNPALGTIGDLREVIAALHEAGISAVVDFIFNHTSNEHEWAQRCAA
GDPLFDNFYYIFPDRRMPDQYDRTLREIFPDQHPGGFSQLEDGRWVWTTF
NSFQWDLNYSNPWVFRAMAGEMLFLANLGVDILRMDAVAFIWKQMGTSCE
NLPQAHALIRAFNAVMRIAAPAVFFKSQAIVHPDQVVQYIGQDECQIGYN
PLQMALLWNTLATREVNLLHQALTYRHNLPEHTAWVNYVRSHDDIGWTFA
DEDAAYLGISGYDHRQFLNRFFVNRFDGSFARGVPFQYNPSTGDCRVSGT
AAALVGLAQDDPHAVDRIKLLYSIALSTGGLPLIYLGDEVGTLNDDDWSQ
DSNKSDDSRWAHRPRYNEALYAQRNDPSTAAGQIYQGLRHMIAVRQSNPR
FDGGRLVTFNTNNKHIIGYIRNNALLAFGNFSEYPQTVTAHTLQAMPFKA
HDLIGGKTVSLNQDLTLQPYQVMWLEIA
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain1s46 Chain A Residue 700 [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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PDB1s46 Crystal structure of the covalent intermediate of amylosucrase from Neisseria polysaccharea.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D144 Y147 H187 F250 D286 H392 D393 R509
Binding residue
(residue number reindexed from 1)		D144 Y147 H187 F250 D286 H392 D393 R509
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D182 R284 D286 Q328 H392 D393
Catalytic site (residue number reindexed from 1) D182 R284 D286 Q328 H392 D393
Enzyme Commision number 2.4.1.4: amylosucrase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0047669 amylosucrase activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1s46, PDBe:1s46, PDBj:1s46
PDBsum1s46
PubMed15023061
UniProtQ9ZEU2|AMYS_NEIPO Amylosucrase (Gene Name=ams)

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