Structure of PDB 4haq Chain B Binding Site BS05

Receptor Information
>4haq Chain B (length=431) Species: 161573 (Limnoria quadripunctata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQAGTETEEYHLPLTWERDGSSVSASVVIDSNWRWTHSTEDTTNCYDGNE
WDSTLCPDADTCTENCAIDGVDQGTWGDTYGITASGSKLTLSFVTEGEYS
TDIGSRVFLMADDDNYEIFNLLDKEFSFDVDASNLPCGLNGALYFVSMDE
DGGTSKYSTNTAGAKYGTGYCDAQCPHDMKFIAGKANSDGWTPSDNDQNA
GTGEMGACCHEMDIWEANSQAQSYTAHVCSVDGYTPCTGTDCGDNGDDRY
KGVCDKDGCDYAAYRLGQHDFYGEGGTVDSGSTLTVITQFITGGGGLNEI
RRIYQQGGQTIQNAAVNFPGDVDPYDSITEDFCVDIKRYFGDTNDFDAKG
GMSGMSNALKKGMVLVMSLWDDHYANMLWLDATYPVDSTEPGALRGPCST
DSGDPADVEANFPGSTVTFSNIKIGPIQSYD
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 chain4haq Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4haq Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance
Resolution1.9 Å
Binding residue
(original residue number in PDB)		P35 L36 A106 S107 G108
Binding residue
(residue number reindexed from 1)		P13 L14 A84 S85 G86
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E233 D235 E238 H249
Catalytic site (residue number reindexed from 1) E211 D213 E216 H227
Enzyme Commision number 3.2.1.91: cellulose 1,4-beta-cellobiosidase (non-reducing end).
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016162 cellulose 1,4-beta-cellobiosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4haq, PDBe:4haq, PDBj:4haq
PDBsum4haq
PubMed23733951
UniProtD4HRL0|GH7B_LIMQU Exoglucanase GH7B (Gene Name=GH7B)

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