Structure of PDB 1kfg Chain A Binding Site BS05

Receptor Information
>1kfg Chain A (length=612) 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
EIVAAGIDPLSLVTSSNYSEGKNTKVSGVLPWDVSNNVYYVNVDLTGENI
YPGGQSACRREVQFRIAAPQGTTYWNPKNDFSYDGLPTTSTVNTVTNIPV
YDNGVKVFGNEP
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 chain1kfg Chain A Residue 9015 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kfg The X-ray crystal structure of the multidomain endoglucanase Cel9G from Clostridium cellulolyticum complexed with natural and synthetic cello-olligosaccharides
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D500 E503 N578 N581 D582
Binding residue
(residue number reindexed from 1)		D498 E501 N576 N579 D580
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:1kfg, PDBe:1kfg, PDBj:1kfg
PDBsum1kfg
PubMed12837787
UniProtP37700|GUNG_RUMCH Endoglucanase G (Gene Name=celCCG)

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