Structure of PDB 5e9o Chain B Binding Site BS01

Receptor Information
>5e9o Chain B (length=85) Species: 154 (Spirochaeta thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEYTEIALPFSYDGAGEYYWKTDQFSTDPNDWSRYVNSWNLDLLEINATD
YTNVWVAQHQIPAASDGYWYIHYKSGVSWGHVEIK
Ligand information
Ligand IDI3C
InChIInChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
InChIKeyJEZJSNULLBSYHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O
CACTVS 3.341Nc1c(I)c(C(O)=O)c(I)c(C(O)=O)c1I
ACDLabs 10.04Ic1c(C(=O)O)c(I)c(c(I)c1N)C(=O)O
FormulaC8 H4 I3 N O4
Name5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid;
5-Amino-2,4,6-triiodoisophthalic acid
ChEMBL
DrugBank
ZINCZINC000004806327
PDB chain5e9o Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5e9o Structural basis for cellulose binding by the type A carbohydrate-binding module 64 of Spirochaeta thermophila.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y459 N503 A520 S521 D522 Y526
Binding residue
(residue number reindexed from 1)		Y3 N47 A64 S65 D66 Y70
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
External links