Structure of PDB 3tw0 Chain D Binding Site BS01
Receptor Information
>3tw0 Chain D (length=357) Species:
216466
(Streptococcus agalactiae serogroup V) [
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PLDVVVLLDNSNSMNNERANNSQRALKAGEAVEKLIDKITSNKDNRVALV
TYASTIFDGTEATVSKGVADQNGKALNDSVSWDYHKTTFTATTHNYSYLN
LTNDANEVNILKSRIPKEAEHINGDRTLYQFGATFTQKALMKANEILETQ
SSNARKKLIFHVTDGVPTMSYAINFNPYISTSYQNQFNSFLNKIPDRSGI
LQEDFIINGDDYQIVKGDGESFKLFSDRKVPVTGGTTQAAYRVPQNQLSV
MSNEGYAINSGYIYLYWRDYNWVYPFDPKTKKVSATKQIKTHGEPTTLYF
NGNIRPKGYDIFTVGIGVNGDPGATPLEAEKFMQSISSKTENYCNVDDTN
CIYDELN
Ligand information
Ligand ID
MG
InChI
InChI=1S/Mg/q+2
InChIKey
JLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341
[Mg++]
Formula
Mg
Name
MAGNESIUM ION
ChEMBL
DrugBank
DB01378
ZINC
PDB chain
3tw0 Chain D Residue 701 [
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Receptor-Ligand Complex Structure
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PDB
3tw0
Structure of Streptococcus agalactiae tip pilin GBS104: a model for GBS pili assembly and host interactions.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
S231 S233 T354
Binding residue
(residue number reindexed from 1)
S11 S13 T134
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:3tw0
,
PDBe:3tw0
,
PDBj:3tw0
PDBsum
3tw0
PubMed
23695252
UniProt
Q8E0S5
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