Structure of PDB 1w3h Chain A Binding Site BS01

Receptor Information
>1w3h Chain A (length=348) Species: 155077 (Cellvibrio japonicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPGLASLADFPIGVAVAASGGNADIFTSSARQNIVRAEFNQITAENIMKM
SYMYSGSNFSFTNSDRLVSWAAQNGQTVHGHTLVWHPSYQLPNWASDSNA
NFRQDFARHIDTVAAHFAGQVKSWDVVNEALFDSADDPDGRGSANGYRQS
VFYRQFGGPEYIDEAFRRARAADPTAELYYNDFNTEENGAKTTALVNLVQ
RLLNNGVPIDGVGFQMHVMNDYPSIANIRQAMQKIVALSPTLKIKITELD
VRLNNPYDGNSSNNYTNRNDCAVSCAGLDRQKARYKEIVQAYLEVVPPGR
RGGITVWGIADPDSWLYTHQNLPDWPLLFNDNLQPKPAYQGVVEALSG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1w3h Chain A Residue 1347 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1w3h The Use of Forced Protein Evolution to Investigate and Improve Stability of Family 10 Xylanases: The Production of Ca2+-Independent Stable Xylanases
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N253 D256 N258 N261 N262
Binding residue
(residue number reindexed from 1)		N255 D258 N260 N263 N264
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E127 N179 H215 E246 D248
Catalytic site (residue number reindexed from 1) E129 N181 H217 E248 D250
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:1w3h, PDBe:1w3h, PDBj:1w3h
PDBsum1w3h
PubMed15452124
UniProtP14768|XYNA_CELJU Endo-1,4-beta-xylanase A (Gene Name=xynA)

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