Structure of PDB 2e0p Chain A Binding Site BS05

Receptor Information
>2e0p Chain A (length=509) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKVVDIRIDTSAERKPISPYIYGSNQELDATVTAKRFGGNRTTGYNWENN
FSNAGSDWLHYSDTYLLEDGGVPKGEWSTPASVVTTFHDKALSKNVPYTL
ITLQAAGYVSADGNGPVSQEETAPSSRWKEVKFEKGAPFSLTPDTEDDYV
YMDEFVNYLVNKYGNASTPTGIKGYSIDNEPALWSHTHPRIHPDNVTAKE
LIEKSVALSKAVKKVDPYAEIFGPALYGFAAYETLQSAPDWGTEGEGYRW
FIDYYLDKMKKASDEEGKRLLDVLDVHWYPEARGGGERICFGADPRNIET
NKARLQAPRTLWDPTYIEDSWIGQWKKDFLPILPNLLDSIEKYYPGTKLA
ITEYDYGGGNHITGGIAQADVLGIFGKYGVYLATFWGDASNNYTEAGINL
YTNYDGKGGKFGDTSVKCETSDIEVSSAYASIVGEDDSKLHIILLNKNYD
QPTTFNFSIDSSKNYTIGNVWAFDRGSSNITQRTPIVNIKDNTFTYTVPA
LTACHIVLE
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 chain2e0p Chain A Residue 701 [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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PDB2e0p Crystal structure of Cel44A, a glycoside hydrolase family 44 endoglucanase from Clostridium thermocellum.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		E54 D150 D153 Y155
Binding residue
(residue number reindexed from 1)		E48 D144 D147 Y149
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.151'
'3.2.1.4
External links