Structure of PDB 1p99 Chain A Binding Site BS01

Receptor Information
>1p99 Chain A (length=255) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVTIGVASNDTKAWEKVKELAKKDDIDVEIKHFSDYNLPNKALNDGDIDM
NAFQHFAFLDQYKKAHKGTKISALSTTVLAPLGIYSDKIKDVKKVKDGAK
VVIPNDVSNQARALKLLEAAGLIKLKKDFGLAGTVKDITSNPKHLKITAV
DAQQTARALSDVDIAVINNGVATKAGKDPKNDPIFLEKSNSDAVKPYINI
VAVNDKDLDNKTYAKIVELYHSKEAQKALQEDVKDGEKPVNLSKDEIKAI
ETSLA
Ligand information
Ligand IDGLY
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N
CACTVS 3.341NCC(O)=O
ACDLabs 10.04O=C(O)CN
FormulaC2 H5 N O2
NameGLYCINE
ChEMBLCHEMBL773
DrugBankDB00145
ZINCZINC000004658552
PDB chain1p99 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1p99 The membrane-associated lipoprotein-9 GmpC from Staphylococcus aureus binds the dipeptide GlyMet via side chain interactions.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		A119 N208 G209 N238
Binding residue
(residue number reindexed from 1)		A80 N169 G170 N199
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links