Structure of PDB 4iu3 Chain A Binding Site BS01

Receptor Information
>4iu3 Chain A (length=207) Species: 1265 (Ruminococcus flavefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHHAMALTDRGMTYDLDPKDGSSAATKPVLEVTKKVFDTAADAAGQTV
TVEFKVSGAEGKYATTGYHIYWDERLEVVATKTGAYAKKGAALEDSSLAK
AENNGNGVFVASGADDDFGADGVMWTVELKVPADAKAGDVYPIDVAYQWD
PSKGDLFTDNKDSAQGKLMQAYFFTQGIKSSSNPSTDEYLVKANATYADG
YIAIKAG
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 chain4iu3 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4iu3 Atypical Cohesin-Dockerin Complex Responsible for Cell Surface Attachment of Cellulosomal Components: BINDING FIDELITY, PROMISCUITY, AND STRUCTURAL BUTTRESSES.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		D147 V148 K182 S183 Y200 D202
Binding residue
(residue number reindexed from 1)		D144 V145 K179 S180 Y197 D199
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:4iu3, PDBe:4iu3, PDBj:4iu3
PDBsum4iu3
PubMed23580648
UniProtA0AEF6

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