Structure of PDB 3l8q Chain C Binding Site BS01

Receptor Information
>3l8q Chain C (length=335) Species: 35830 (Acetivibrio cellulolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTSSIEIVLDKTTASVGEIVTASINIKNITNFSGCQLNMKYDPAVLQPVT
SSGVAYTKSTMPGAGTILNSDFNLRQVADNDLEKGILNFSKAYVSLDDYR
TAAAPEQTGTVAVVKFKVLKEETSSISFEDTTSVPNAIDGTVLFDWNGDR
IQSGYSVIQPAVINLDMTKASYITMGYDKNAAEVGEIIKATVKINKITNF
SGYQVNIKYDPTVLQAVNPKTGVAYTNSSLPTSGELLVSEDYGPIVQGVH
KISEGILNLSRSYTALEVYRASESPEETGTLAVVGFKVLQKKATTVVFED
SETMPNGITGTTLFNWYGNRIQSGYFVIQPGEINS
Ligand information
Ligand IDPDO
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CO)CO
ACDLabs 11.02
CACTVS 3.352		OCCCO
FormulaC3 H8 O2
Name1,3-PROPANDIOL
ChEMBLCHEMBL379652
DrugBankDB02774
ZINCZINC000001529437
PDB chain3l8q Chain C Residue 359 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3l8q Modular Arrangement of a Cellulosomal Scaffoldin Subunit Revealed from the Crystal Structure of a Cohesin Dyad
Resolution1.57 Å
Binding residue
(original residue number in PDB)		K42 Y43 S127
Binding residue
(residue number reindexed from 1)		K40 Y41 S125
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Biological Process
GO:0000272 polysaccharide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3l8q, PDBe:3l8q, PDBj:3l8q
PDBsum3l8q
PubMed20394754
UniProtQ7WYN3

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