Structure of PDB 6ylj Chain A Binding Site BS01

Receptor Information
>6ylj Chain A (length=389) Species: 5544 (Trichoderma harzianum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANGYANSVYFTNWGIYDRNFQPADLVASDVTHVIYSFMNLQADGTVISGD
TYADYEKHYADDSWNDVGTNAYGCVKQLFKVKKANRGLKVLLSIGGWTWS
TNFPSAASTDANRKNFAKTAITFMKDWGFDGIDIAWAYPADATQASNMIL
LLKEVRSQLDAYAAQYAPGYHFLLTIAAPAGKDNYSKLRLADLGQVLDYI
NLMAYDYAGSFSPLTGHDANLFNNPSNPNATPFNTDSAVKDYINGGVPAN
KIVLGMPIYGRSFQNTAGIGQTYNGVGSGSWEAGIWDYKALPKAGATVQY
DSVAKGYYSYNSATKELISFDTPDMINTKVAYLKSLGLGGSMFWEASADK
KGADSLIGTSHRALGGLDTTQNLLSYPNSKYDNIKNGLN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6ylj Chain A Residue 512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ylj Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H205 D232
Binding residue
(residue number reindexed from 1)		H171 D198
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.14: chitinase.
Gene Ontology
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6ylj, PDBe:6ylj, PDBj:6ylj
PDBsum6ylj
PubMed
UniProtP48827|CHI42_TRIHA Endochitinase 42 (Gene Name=chit42)

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