Structure of PDB 7ms9 Chain I Binding Site BS01

Receptor Information
>7ms9 Chain I (length=121) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTYTCWSQRIRISREAKQRIAEAITDAHHELAHAPKYLVQVIFNEVEPDS
YFIAAQSASENHIWVQATIRSGRTEKQKEELLLRLTQEIALILGIPNEEV
WVYITEIPGSNMTDYGRLLME
Ligand information
Ligand ID3OH
InChIInChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
InChIKeyALRHLSYJTWAHJZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OCCC(O)=O
ACDLabs 10.04O=C(O)CCO
OpenEye OEToolkits 1.5.0C(CO)C(=O)O
FormulaC3 H6 O3
Name3-HYDROXY-PROPANOIC ACID
ChEMBLCHEMBL1205969
DrugBankDB03688
ZINCZINC000000895452
PDB chain7ms9 Chain I Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ms9 Cg10062 Catalysis Forges a Link between Acetylenecarboxylic Acid and Bacterial Metabolism.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		P1 H28 R70 R73
Binding residue
(residue number reindexed from 1)		P1 H28 R70 R73
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.2.6: 2-hydroxymuconate tautomerase.
External links