Structure of PDB 4fl4 Chain F Binding Site BS02

Receptor Information
>4fl4 Chain F (length=308) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNKLTLKIGRAEGRPGDTVEIPVNLYGVPQKGIASGDFVVSYDPNVLEII
EIEPGELIVDPNPTKSFDTAVYPDRKMIVFLFAEDSGTGAYAITEDGVFA
TIVAKVKEGAPEGFSAIEISEFGAFADNDLVEVETDLINGGVLVTNKPVI
EGYKVSGYILPDFSFDATVAPLVKAGFKVEIVGTELYAVTDANGYFEITG
VPANASGYTLKISRATYLDRVIANVVVTGDTSVSTSQAPIMMWVGDIVKD
NSINLLDVAEVIRCFNATKGSANYVEELDINRNGAINMQDIMIVHKHFGA
TSSDYDAQ
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 chain4fl4 Chain F Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fl4 Scaffoldin Conformation and Dynamics Revealed by a Ternary Complex from the Clostridium thermocellum Cellulosome.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D251 V253 D255 S257 D262
Binding residue
(residue number reindexed from 1)		D246 V248 D250 S252 D257
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
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:4fl4, PDBe:4fl4, PDBj:4fl4
PDBsum4fl4
PubMed22707718
UniProtQ46453

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