Structure of PDB 2eeo Chain B Binding Site BS03

Receptor Information
>2eeo Chain B (length=95) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTVDQDLLDAAGILPFEQVDIYDITNGARLTTYALPGERGSGVIGINGAA
AHLVKPGDLVILVAYGVFDEEEARNLKPTVVLVDERNRILEVRKG
Ligand information
Ligand IDFUM
InChIInChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InChIKeyVZCYOOQTPOCHFL-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(=CC(=O)O)C(=O)O
OpenEye OEToolkits 1.7.6C(=C/C(=O)O)\C(=O)O
CACTVS 3.370OC(=O)\C=C\C(O)=O
ACDLabs 12.01O=C(O)\C=C\C(=O)O
CACTVS 3.370OC(=O)C=CC(O)=O
FormulaC4 H4 O4
NameFUMARIC ACID
ChEMBLCHEMBL503160
DrugBankDB01677
ZINCZINC000003860193
PDB chain2eeo Chain B Residue 501 [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]
PDB2eeo Crystal Structure of T.th. HB8 L-Aspartate-alpha-Decarboxylase
Resolution1.6 Å
Binding residue
(original residue number in PDB)		T57 Y58 A74 A75
Binding residue
(residue number reindexed from 1)		T32 Y33 A49 A50
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y58
Catalytic site (residue number reindexed from 1) Y33
Enzyme Commision number 4.1.1.11: aspartate 1-decarboxylase.
Gene Ontology
Molecular Function
GO:0004068 aspartate 1-decarboxylase activity
Biological Process
GO:0006523 alanine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2eeo, PDBe:2eeo, PDBj:2eeo
PDBsum2eeo
PubMed
UniProtQ5SKN7|PAND_THET8 Aspartate 1-decarboxylase (Gene Name=panD)

[Back to BioLiP]