Structure of PDB 3kl9 Chain A Binding Site BS01

Receptor Information
>3kl9 Chain A (length=340) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMTTLFSKIKEVTELAAVSGHEAPVRAYLREKLTPHVDEVVTDGLGGIFG
IKHSEAVDAPRVLVASHMDEVGFMVSEIKPDGTFRVVEIGGWNPMVVSSQ
RFKLLTRDGHEIPVISGPAIADIVFDGGFADKAEAESFGIRPGDTIVPDS
SAILTANEKNIISKAWDNRYGVLMVSELAEALSGQKLGNELYLGSNVQEE
VGLRGAHTSTTKFDPEVFLAVDCSPAGDVYGGQGKIGDGTLIRFYDPGHL
LLPGMKDFLLTTAEEAGIKYQYYCGKGGTDAGAAHLKNGGVPSTTIGVCA
RYIHSHQTLYAMDDFLEAQAFLQALVKKLDRSTVDLIKHY
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 chain3kl9 Chain A Residue 355 [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]
PDB3kl9 Structural basis for the substrate specificity of PepA from Streptococcus pneumoniae, a dodecameric tetrahedral protease
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H66 D181 D236
Binding residue
(residue number reindexed from 1)		H67 D167 D222
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.11.7: glutamyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3kl9, PDBe:3kl9, PDBj:3kl9
PDBsum3kl9
PubMed19914209
UniProtQ8DNJ7

[Back to BioLiP]