Structure of PDB 1hiz Chain A Binding Site BS01

Receptor Information
>1hiz Chain A (length=375) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYAKKPHISALNAPQLDQRYKNEFTIGAAVEPYQLQNEKDVQMLKRHFNS
IVAENVMKPISIQPEEGKFNFEQADRIVKFAKANGMDIRFHTLVWHSQVP
QWFFLDKEGKPMVNETDPVKREQNKQLLLKRLETHIKTIVERYKDDIKYW
DVVNEVVGDDGKLRNSPWYQIAGIDYIKVAFQAARKYGGDNIKLYMNDYN
TEVEPKRTALYNLVKQLKEEGVPIDGIGHQSHIQIGWPSEAEIEKTINMF
AALGLDNQITELDVSMYGWPPRAYPTYDAIPKQKFLDQAARYDRLFKLYE
KLSDKISNVTFWGIADNHTWLDSRADVYYDANGNVVVDPNAPYAKVEKGK
GKDAPFVFGPDYKVKPAYWAIIDHK
Ligand information
Ligand IDGLA
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-PHYPRBDBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
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
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBLCHEMBL1233058
DrugBank
ZINCZINC000000901155
PDB chain1hiz Chain A Residue 1381 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hiz Structure Determination of the Extracellular Xylanase from Geobacillus Stearothermophilus by Selenomethionyl MAD Phasing
Resolution2.4 Å
Binding residue
(original residue number in PDB)		W100 E266 W325
Binding residue
(residue number reindexed from 1)		W95 E261 W320
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E160 N202 H237 E266 D268
Catalytic site (residue number reindexed from 1) E155 N197 H232 E261 D263
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0031176 endo-1,4-beta-xylanase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0045493 xylan catabolic 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:1hiz, PDBe:1hiz, PDBj:1hiz
PDBsum1hiz
PubMed15103129
UniProtP40943|XYN1_GEOSE Endo-1,4-beta-xylanase

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