Structure of PDB 1clc Chain A Binding Site BS04

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1clc Chain A Residue 653 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1clc Three-Dimensional Structure of a Thermostable Bacterial Cellulase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C155 C173 H174 H197
Binding residue
(residue number reindexed from 1)		C121 C139 H140 H163
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

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

[Back to BioLiP]