Structure of PDB 3ro8 Chain G Binding Site BS01

Receptor Information
>3ro8 Chain G (length=304) Species: 324057 (Paenibacillus sp. JDR-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMAPLKDVYKNDFLIGNAISAEDLEGTRLELLKMHHDVVTAGNAMKPDA
LQPTKGNFTFTAADAMIDKVLAEGMKMHGHVLVWHQQSPAWLNTKKDDNN
NTVPLGRDEALDNLRTHIQTVMKHFGNKVISWDVVNEAMNDNPSNPADYK
ASLRQTPWYQAIGSDYVEQAFLAAREVLDENPSWNIKLYYNDYNEDNQNK
ATAIYNMVKDINDRYAAAHNGKLLIDGVGMQGHYNINTNPDNVKLSLEKF
ISLGVEVSVSELDVTAGNNYTLPENLAVGQAYLYAQLFKLYKEHADHIAR
VTFW
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3ro8 Chain G Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ro8 Novel structural features of xylanase A1 from Paenibacillus sp. JDR-2.
Resolution1.34 Å
Binding residue
(original residue number in PDB)		D14 A296 I299
Binding residue
(residue number reindexed from 1)		D13 A295 I298
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E138 N192 H234 E262 D264
Catalytic site (residue number reindexed from 1) E137 N191 H233 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
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3ro8, PDBe:3ro8, PDBj:3ro8
PDBsum3ro8
PubMed23000703
UniProtC6CRV0|XYNA1_PAESJ Endo-1,4-beta-xylanase A (Gene Name=xynA1)

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