Structure of PDB 2c1i Chain A Binding Site BS01

Receptor Information
>2c1i Chain A (length=383) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEQKIESLKKEKDDQLSEGNQKEHFRQGQAEVIAYYPLQGEKVISSVREL
INQDVKDKLESKDNLVFYYTEQEESGLKGVVNRNVTKQIYDIEETEKTSL
GKVHLTEDGQPFTLDQLFSDASKAKEQLIKELTSFDLSAWNFDYKDSQII
LYEIALPVSAFFDVIQSSYLLEKDAALYQSYFDKKHQKVVALTFNDGPNP
ATTPQVLETLAKYDIKATFFVLGKNVSGNEDLVKRIKSEGHVVGNHSWSH
PILSQLSLDEAKKQITDTEDVLTKVLGSSSKLMRPPYGAITDDIRNSLDL
SFIMWDVDSLDWKSKNEASILTEIQHQVANGSIVLMHDIHSPTVNALPRV
IEYLKNQGYTFVTIPEMLNTRLKAHELYYSRDE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2c1i Chain A Residue 1465 [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]
PDB2c1i Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		D276 H326 H330
Binding residue
(residue number reindexed from 1)		D196 H246 H250
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.104: peptidoglycan-N-acetylglucosamine deacetylase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding
GO:0050119 N-acetylglucosamine deacetylase activity
GO:0060241 lysozyme inhibitor activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0042545 cell wall modification
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2c1i, PDBe:2c1i, PDBj:2c1i
PDBsum2c1i
PubMed16221761
UniProtQ8DP63|PGDA_STRR6 Peptidoglycan-N-acetylglucosamine deacetylase (Gene Name=pgdA)

[Back to BioLiP]