Structure of PDB 1g87 Chain A Binding Site BS01

Receptor Information
>1g87 Chain A (length=611) Species: 1521 (Ruminiclostridium cellulolyticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYNYGEALQKSIMFYEFQRSGDLPADKRDNWRDDSGMKDGSDVGVDLTGG
WYDAGDHVKFNLPMSYTSAMLAWSLYEDKDAYDKSGQTKYIMDGIKWAND
YFIKCNPTPGVYYYQVGDGGKDHSWWGPAEVMQMERPSFKVDASKPGSAV
CASTAASLASAAVVFKSSDPTYAEKCISHAKNLFDMADKAKSDAGYTAAS
GYYSSSSFYDDLSWAAVWLYLATNDSTYLDKAESYVPNWGKEQQTDIIAY
KWGQCWDDVHYGAELLLAKLTNKQLYKDSIEMNLDFWTTGVNGTRVSYTP
KGLAWLFQWGSLRHATTQAFLAGVYAEWEGCTPSKVSVYKDFLKSQIDYA
LGSTGRSFVVGYGVNPPQHPHHRTAHGSWTDQMTSPTYHRHTIYGALVGG
PDNADGYTDEINNYVNNEIACDYNAGFTGALAKMYKHSGGDPIPNFKAIE
KITNDEVIIKAGLNSTGPNYTEIKAVVYNQTGWPARVTDKISFKYFMDLS
EIVAAGIDPLSLVTSSYSEGKNTKVSGVLPWDVSNNVYYVNVDLTGENIY
PGGQSACRREVQFRIAAPQGTTYWNPKNDFSYDGLPTTSTVNTVTNIPVY
DNGVKVFGNEP
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 chain1g87 Chain A Residue 615 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1g87 X-Ray Crystal Structure of the Multidomain Endoglucanase Cel9G from Clostridium cellulolyticum Complexed with Natural and Synthetic Cello-Oligosaccharides
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D500 E503 N578 N581 D582
Binding residue
(residue number reindexed from 1)		D498 E501 N575 N578 D579
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D55 D58 Y205 E420
Catalytic site (residue number reindexed from 1) D53 D56 Y203 E418
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0030246 carbohydrate binding
GO:0030248 cellulose binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1g87, PDBe:1g87, PDBj:1g87
PDBsum1g87
PubMed12837787
UniProtP37700|GUNG_RUMCH Endoglucanase G (Gene Name=celCCG)

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