Structure of PDB 4uto Chain A Binding Site BS01

Receptor Information
>4uto Chain A (length=278) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLKVVATNSIIADITKNIAGDKIDLHSIVPIGQDPHEYEPLPEDVKKTSE
ADLIFYNGINLETGGNAWFTKLVENAKKTENKDYFAVSDGVDVIYLEGQN
EKGKEDPHAWLNLENGIIFAKNIAKQLSAKDPNNKEFYEKNLKEYTDKLD
KLDKESKDKFNKIPAEKKLIVTSEGAFKYFSKAYGVPSAYIWEINTEEEG
TPEQIKTLVEKLRQTKVPSLFVESSVDDRPMKTVSQDTNIPIYAQIFTNS
IAEQGKEGDSYYSMMKYNLDKIAEGLAK
Ligand information
Ligand IDCD
InChIInChI=1S/Cd/q+2
InChIKeyWLZRMCYVCSSEQC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Cd++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cd+2]
FormulaCd
NameCADMIUM ION
ChEMBL
DrugBank
ZINC
PDB chain4uto Chain A Residue 1310 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4uto Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		H67 H139 E205
Binding residue
(residue number reindexed from 1)		H36 H108 E174
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0007155 cell adhesion
GO:0030001 metal ion transport

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Molecular Function
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Biological Process
External links
PDB RCSB:4uto, PDBe:4uto, PDBj:4uto
PDBsum4uto
PubMed25731976
UniProtP0A4G2|MTSA_STRPN Manganese ABC transporter substrate-binding lipoprotein PsaA (Gene Name=psaA)

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