Structure of PDB 3n98 Chain A Binding Site BS01

Receptor Information
>3n98 Chain A (length=550) Species: 311400 (Thermococcus kodakarensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKGYLTFVLHTHIPYVRKHGKWPFGEEWVFEAISETYIPLLMEFERLRDS
GVKFGIVINVTPVLAEQLTDEYMKKAFEEYMERKLKAMEEDLKSGKYDEK
AVSYMLNYFRKVYDYWKAINGDIIGKLRELQDQGYVEVITSAATHGYLPL
LGRDEAIRAQIANGVATYEKHFGMKPKGIWLPECAYRPAGEWELPGGRKV
KRQGIEKFLEEFGLRYFFVESRLIDEGPASNVYGEVLIADTEKTTLRPYW
IKGSNVAVFARNRETGHQVWSAHYGYPGDFWYREFHKKAPKSGGQYWRIT
SKEVGLGEKEFYDPDKAMERVEEHARHFVSLVERLLREHEEKFGEKGIIV
APYDTELFGHWWFEGVKWLGRVLELLYQRGVETPTLSRFLEEYSGEKHEI
ELPEGSWGANSDHSTWWNEETEWTWPHIYRAEDRMVAIVSRFRGRDELTN
RVIEQLARELLILEASDWQFLITTGQAKEYAKRRVLIHSRDFHRLANELV
RYVKIGEFDVKLLEELEERDNPFRPVVVGPYVSENPPELEEYVEPPEVPP
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 chain3n98 Chain A Residue 563 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3n98 Structural basis for branching-enzyme activity of glycoside hydrolase family 57: Structure and stability studies of a novel branching enzyme from the hyperthermophilic archaeon Thermococcus Kodakaraensis KOD1.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		W270 G278
Binding residue
(residue number reindexed from 1)		W270 G278
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.18: 1,4-alpha-glucan branching enzyme.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003844 1,4-alpha-glucan branching enzyme activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030979 alpha-glucan biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3n98, PDBe:3n98, PDBj:3n98
PDBsum3n98
PubMed21104698
UniProtQ5JDJ7|BE_THEKO 1,4-alpha-glucan branching enzyme TK1436 (Gene Name=TK1436)

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