Structure of PDB 5vtm Chain X Binding Site BS01

Receptor Information
>5vtm Chain X (length=259) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRQAWHYALGGERLAEAVLRRDLPVDHLGEAWARPMTPFKLDGGELRVRI
EDPSGRFNLNGLVRKRKVKPDSVKQFRRLLATLGMKEEIVQGLPDRLADW
LDADQNPQGEQGAEDNQYLLEAPAYRAANRSFKDVSELRLLKLSEADYRR
LLPFVSALPEDAPLNVNTASVPVLAAMFEIDPGQAENIVDARGREGFQSK
DDFTKHLTQKGNVSYAVGTRYFQVISEVSLGDRRQVLVSTLQRGKDGKIR
VMARDMGQG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5vtm Chain X Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vtm Structure-guided disruption of the pseudopilus tip complex inhibits the Type II secretion in Pseudomonas aeruginosa.
Resolution2.041 Å
Binding residue
(original residue number in PDB)		D65 V77 D78 E82
Binding residue
(residue number reindexed from 1)		D22 V25 D26 E30
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0009306 protein secretion
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:5vtm, PDBe:5vtm, PDBj:5vtm
PDBsum5vtm
PubMed30346996
UniProtQ00518|GSPK_PSEAE Type II secretion system protein K (Gene Name=xcpX)

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