Structure of PDB 1clc Chain A Binding Site BS03

Receptor Information
>1clc Chain A (length=541) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IETKVSAAKITENYQFDSRIRLNSIGFIPNHSKKATIAANCSTFYVVKED
GTIVYTGTATSMFDNDTKETVYIADFSSVNEEGTYYLAVPGVGKSVNFKI
AMNVYEDAFKTAMLGMYLLRCGTSVSATYNGIHYSHGPCHTNDAYLDYIN
GQHTKKDSTKGWHDAGDYNKYVVNAGITVGSMFLAWEHFKDQLEPVALEI
PEKNNSIPDFLDELKYEIDWILTMQYPDGSGRVAHKVSTRNFGGFIMPEN
EHDERFFVPWSSAATADFVAMTAMAARIFRPYDPQYAEKCINAAKVSYEF
LKNNPANVFANQSGFSTGEYATVSDADDRLWAAAEMWETLGDEEYLRDFE
NRAAQFSKKIEADFDWDNVANLGMFTYLLSERPGKNPALVQSIKDSLLST
ADSIVRTSQNHGYGRTLGTTYYWGCNGTVVRQTMILQVANKISPNNDYVN
AALDAISHVFGRNYYNRSYVTGLGINPPMNPHDRRSGADGIWEPWPGYLV
GGGWPGPKDWVDIQDSYQTNEIAINWNAALIYALAGFVNYN
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 chain1clc Chain A Residue 652 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1clc Three-Dimensional Structure of a Thermostable Bacterial Cellulase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S520 D523 I525
Binding residue
(residue number reindexed from 1)		S486 D489 I491
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D198 D201 Y354 E555
Catalytic site (residue number reindexed from 1) D164 D167 Y320 E521
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1clc, PDBe:1clc, PDBj:1clc
PDBsum1clc
PubMed
UniProtP0C2S4|GUND_ACETH Endoglucanase D (Fragment) (Gene Name=celD)

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