Structure of PDB 8br0 Chain B Binding Site BS01

Receptor Information
>8br0 Chain B (length=398) Species: 9606,28173 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTYQSRDLVLEPIQHPKSIELGMPEVDQSVLAEVAERENVIIGVRPVDEK
SKSLIASKMYSSKGLFVKAKSSDWGPMSGFIPVDQSFAKASARRDLEKFN
EYAEQSILSGNAVSANLYLNQVRIEELVSKYESLTPLELDVDSGMYKTTA
TNGDQTIPFFLNKVTVDDKELWQVHYLREGELAPFKVIGDPVSKQPMTAD
YDLLTVMYTYGDLGPQDKVKQPLTWEQWKESVTYEDLSPKYKARYDNQAL
YEKQDGASLGMVSDRLKELKDVINTSLGRTDGLEMVHHGADDANPYAVMA
DNFPATFFVPKHFFDDDGLGEGKGSIQTYFNVNEQGAVVIQNPQEFSNFQ
QVAINASYRASLNDKWNSGLDSPLFTTKRKLSHDYLDARDEVAKKLGL
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain8br0 Chain B Residue 1101 [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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PDB8br0 Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Resolution2.218 Å
Binding residue
(original residue number in PDB)		D665 D667
Binding residue
(residue number reindexed from 1)		D200 D202
Annotation score1
Enzymatic activity
Enzyme Commision number 4.6.1.1: adenylate cyclase.
Gene Ontology
Molecular Function
GO:0000774 adenyl-nucleotide exchange factor activity
GO:0001784 phosphotyrosine residue binding
GO:0003723 RNA binding
GO:0003779 actin binding
GO:0003785 actin monomer binding
GO:0005515 protein binding
GO:0005546 phosphatidylinositol-4,5-bisphosphate binding
GO:0008294 calcium- and calmodulin-responsive adenylate cyclase activity
GO:0031267 small GTPase binding
GO:0045296 cadherin binding
GO:0070064 proline-rich region binding
Biological Process
GO:0001843 neural tube closure
GO:0006357 regulation of transcription by RNA polymerase II
GO:0010634 positive regulation of epithelial cell migration
GO:0030036 actin cytoskeleton organization
GO:0030833 regulation of actin filament polymerization
GO:0030837 negative regulation of actin filament polymerization
GO:0030838 positive regulation of actin filament polymerization
GO:0032232 negative regulation of actin filament bundle assembly
GO:0032233 positive regulation of actin filament bundle assembly
GO:0032781 positive regulation of ATP-dependent activity
GO:0044087 regulation of cellular component biogenesis
GO:0050804 modulation of chemical synaptic transmission
GO:0050821 protein stabilization
GO:0051497 negative regulation of stress fiber assembly
GO:0060074 synapse maturation
GO:0098885 modification of postsynaptic actin cytoskeleton
GO:0110053 regulation of actin filament organization
GO:1900029 positive regulation of ruffle assembly
Cellular Component
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005925 focal adhesion
GO:0005938 cell cortex
GO:0016020 membrane
GO:0070062 extracellular exosome
GO:0072562 blood microparticle
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8br0, PDBe:8br0, PDBj:8br0
PDBsum8br0
PubMed37747912
UniProtA0A9P1NJI6;
P07737|PROF1_HUMAN Profilin-1 (Gene Name=PFN1)

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