Structure of PDB 1gor Chain A Binding Site BS01

Receptor Information
>1gor Chain A (length=302) Species: 5087 (Thermoascus aurantiacus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EAAQSVDQLIKARGKVYFGVATDQNRLTTGKNAAIIQADFGQVTPENSMK
WDATEPSQGNFNFAGADYLVNWAQQNGKLIRGHTLVWHSQLPSWVSSITD
KNTLTNVMKNHITTLMTRYKGKIRAWDVVNEAFNEDGSLRQTVFLNVIGE
DYIPIAFQTARAADPNAKLYINDYNLDSASYPKTQAIVNRVKQWRAAGVP
IDGIGSQTHLSAGQGAGVLQALPLLASAGTPEVAITELDVAGASPTDYVN
VVNACLNVQSCVGITVWGVADPDSWRASTTPLLFDGNFNPKPAYNAIVQD
LQ
Ligand information
Ligand IDXYS
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
InChIKeySRBFZHDQGSBBOR-LECHCGJUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-D-xylopyranose;
alpha-D-xylose;
D-xylose;
xylose;
XYLOPYRANOSE
ChEMBL
DrugBankDB03389
ZINCZINC000001529214
PDB chain1gor Chain B Residue 1 [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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PDB1gor Substrate Specificity and Subsite Mobility in T. Aurantiacus Xylanase 10A
Resolution1.7 Å
Binding residue
(original residue number in PDB)		K50 H83 W87 N130 Q207 H209 E237 W267 W275 Q302
Binding residue
(residue number reindexed from 1)		K50 H83 W87 N130 Q207 H209 E237 W267 W275 Q302
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E131 N172 H209 E237 D239
Catalytic site (residue number reindexed from 1) E131 N172 H209 E237 D239
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1gor, PDBe:1gor, PDBj:1gor
PDBsum1gor
PubMed11741607
UniProtP23360|XYNA_THEAU Endo-1,4-beta-xylanase (Gene Name=XYNA)

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