Structure of PDB 9gaf Chain A Binding Site BS01

Receptor Information
>9gaf Chain A (length=290) Species: 238 (Elizabethkingia meningoseptica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNKPIVLSTFNFGLHANVEAWKVLSKGGKALDAVEKGVRLVEDDPTERSV
GYGGRPDRDGRVTLDACIMDENYNIGSVACMEHIKNPISVARAVMEKTPH
VMLVGDGALEFALSQGFKKENLLTAESEKEWKEWLYKPIVNIENHDTIGM
IALDAQGNLSGACTTSGMAYKMHGRVGDSPIIGAGLFVDNEIGAATATGH
GEEVIRTVGTHLVVELMNQGRTPQQACKEAVERIVKIVNRRGKNLKDIQV
GFIALNKKGEYGAYCIQDGFNFAVHDQKGNRLETPGFALK
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 chain9gaf Chain A Residue 296 [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]
PDB9gaf Structural insights into the mechanism of intramolecular proteolysis.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T152 R180 D183 G204 G206
Binding residue
(residue number reindexed from 1)		T147 R175 D178 G199 G201
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T152
Catalytic site (residue number reindexed from 1) T147
Enzyme Commision number 3.5.1.26: N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase.
Gene Ontology
Molecular Function
GO:0003948 N4-(beta-N-acetylglucosaminyl)-L-asparaginase activity
GO:0004067 asparaginase activity
GO:0008233 peptidase activity
GO:0008798 beta-aspartyl-peptidase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006508 proteolysis
GO:0006517 protein deglycosylation
Cellular Component
GO:0005737 cytoplasm
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:9gaf, PDBe:9gaf, PDBj:9gaf
PDBsum9gaf
PubMed10490104
UniProtQ47898|ASPG_ELIMR N(4)-(Beta-N-acetylglucosaminyl)-L-asparaginase

[Back to BioLiP]