Structure of PDB 5e9o Chain C Binding Site BS02

Receptor Information
>5e9o Chain C (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 C Residue 602 [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]
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)		W488 H515 Q516
Binding residue
(residue number reindexed from 1)		W32 H59 Q60
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
External links