Structure of PDB 4r0t Chain B Binding Site BS01

Receptor Information
>4r0t Chain B (length=162) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRSPAWAQAVDPSINLYRMSPTLYRSALPNAQSVALLQRLQVKTVVSFIK
DDDRAWLGQAPVRVLSLPTHADRVDDAEVLSVLRQLQAAEREGPVLMHSK
HGNNRTGLFAAMYRIVVQGWDKQAALEEMQHGGFGDEDDMRDASAYVRGA
DVDGLRLAMANG
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain4r0t Chain B Residue 301 [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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PDB4r0t Structural and Biochemical Analysis of Tyrosine Phosphatase Related to Biofilm Formation A (TpbA) from the Opportunistic Pathogen Pseudomonas aeruginosa PAO1
Resolution2.603 Å
Binding residue
(original residue number in PDB)		H103 A104 R138 D175
Binding residue
(residue number reindexed from 1)		H70 A71 R105 D142
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
3.1.3.48: protein-tyrosine-phosphatase.
External links
PDB RCSB:4r0t, PDBe:4r0t, PDBj:4r0t
PDBsum4r0t
PubMed25909591
UniProtQ9HXC7|TPBA_PSEAE Dual specificity protein phosphatase TpbA (Gene Name=tpbA)

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