Structure of PDB 2wts Chain A Binding Site BS01

Receptor Information
>2wts Chain A (length=197) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQQIADFDKEKATLDEADIDERMKLAQAFNDSLNNVVSGDPWSEEMKKKG
RAEYARMLEIHERMGHVEIPVIDVDLPVYAGTAEEVLQQGAGHLEGTSLP
IGGNSTHAVITADTGLPTAKMFTDLTKLKVGDKFYVHNIKEVMAYQVDQV
KVIEPTNFDDLLIVPGHDYVTLLTCTPYMINTHRLLVRGHRIPYVAE
Ligand information
Ligand IDALA
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N
FormulaC3 H7 N O2
NameALANINE
ChEMBLCHEMBL279597
DrugBankDB00160
ZINCZINC000004658553
PDB chain2wts Chain A Residue 1216 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wts Sortase Activity is Controlled by a Flexible Lid in the Pilus Biogenesis Mechanism of Gram-Positive Pathogens.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		D131 T132 C193
Binding residue
(residue number reindexed from 1)		D113 T114 C175
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.2.12: peptidyltransferase.
External links