Structure of PDB 2cip Chain A Binding Site BS03

Receptor Information
>2cip Chain A (length=273) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGLKIGAWVGTQPSESAIKSFQELQGRKLDIVHQFINWSTDFSWVRPYAD
AVYNNGSILMITWEPWEYNTVDIKNGKADAYITRMAQDMKAYGKEIWLRP
LHEANGDWYPWAIGYSSRVNTNETYIAAFRHIVDIFRANGATNVKWVFNV
NCDNVGNGTSYLGHYPGDNYVDYTSIDGYNWGTTQSQWQSFDQVFSRAYQ
ALASINKPIIIAQFASAEIGGNKARWITEAYNSIRTSYNKVIAAVWFHEN
KETDWRINSSPEALAAYREAIGA
Ligand information
Ligand IDZZ1
InChIInChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKeyPSGQCCSGKGJLRL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C2Oc1ccccc1C(=C2)C
OpenEye OEToolkits 1.5.0CC1=CC(=O)Oc2c1cccc2
CACTVS 3.341CC1=CC(=O)Oc2ccccc12
FormulaC10 H8 O2
Name4-METHYL-2H-CHROMEN-2-ONE;
4-METHYLUMBELLIFERYL
ChEMBLCHEMBL12279
DrugBankDB08785
ZINCZINC000000300858
PDB chain2cip Chain A Residue 1285 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cip Substrate Distortion by a Lichenase Highlights the Different Conformational Itineraries Harnessed by Related Glycoside Hydrolases.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		W114 N157
Binding residue
(residue number reindexed from 1)		W108 N151
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016985 mannan endo-1,4-beta-mannosidase activity
Biological Process
GO:0006080 substituted mannan metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2cip, PDBe:2cip, PDBj:2cip
PDBsum2cip
PubMed16823793
UniProtP16218|GUNH_ACET2 Endoglucanase H (Gene Name=celH)

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