Structure of PDB 1mw1 Chain A Binding Site BS02

Receptor Information
>1mw1 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
GVCYVDLFAGDLKGLKDKIPYFQELGLTYLHLMPLFKCPEGKSDGGYAVS
SYRDVNPALGTIGDLREVIAALHEAGISAVVDFIFNHTSNEHEWAQRCAA
GDPLFDNFYYIFPDRRMPDQYDRTLREIFPDQHPGGFSQLEDGRWVWTTF
NSFQWDLNYSNPWVFRAMAGEMLFLANLGVDILRMDAVAFIWKQMGTSCE
NLPQAHALIRAFNAVMRIAAPAVFFKSEAIVHPDQVVQYIGQDECQIGYN
PLQMALLWNTLATREVNLLHQALTYRHNLPEHTAWVNYVRSHDDIGWTFA
DEDAAYLGISGYDHRQFLNRFFVNRFDGSFARGVPFQYNPSTGDCRVSGT
AAALVGLAQDDPHAVDRIKLLYSIALSTGGLPLIYLGDEVGTLNDDDWSQ
DSNKSDDSRWAHRPRYNEALYAQRNDPSTAAGQIYQDLRHMIAVRQSNPR
FDGGRLVTFNTNNKHIIGYIRNNALLAFGNFSEYPQTVTAHTLQAMPFKA
HDLIGGKTVSLNQDLTLQPYQVMWLEIA
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain1mw1 Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1mw1 Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S505 D506 D507 S508
Binding residue
(residue number reindexed from 1)		S505 D506 D507 S508
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D182 R284 D286 E328 H392 D393
Catalytic site (residue number reindexed from 1) D182 R284 D286 E328 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:1mw1, PDBe:1mw1, PDBj:1mw1
PDBsum1mw1
PubMed12364331
UniProtQ9ZEU2|AMYS_NEIPO Amylosucrase (Gene Name=ams)

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