Structure of PDB 1rkv Chain A Binding Site BS01

Receptor Information

>1rkv Chain A (length=206) Species: 208964 (Pseudomonas aeruginosa PAO1)

DMEIACLDLEGVLVPEIWIAFAEKTGIDALKATTRDIPDYDVLMKQRLRI
LDEHGLKLGDIQEVIATLKPLEGAVEFVDWLRERFQVVILSDTFYEFSQP
LMRQLGFPTLLCHKLEIDDSDRVVGYQLRQKDPKRQSVIAFKSLYYRVIA
AGDSYNDTTMLSEAHAGILFHAPENVIREFPQFPAVHTYEDLKREFLKAS
SRSLSL

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 1rkv Chain A Residue 320

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1rkv The thrH Gene Product of Pseudomonas aeruginosa Is a Dual Activity Enzyme with a Novel Phosphoserine:Homoserine Phosphotransferase Activity.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D7 E9 S90 D91 K133
• Binding residue (residue number reindexed from 1): D8 E10 S91 D92 K134
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.3: phosphoserine phosphatase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004413 homoserine kinase activity
• GO:0016787 hydrolase activity
• GO:0036424 L-phosphoserine phosphatase activity
• GO:0043899 phosphoserine:homoserine phosphotransferase activity
• GO:0046820 4-amino-4-deoxychorismate synthase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006564 L-serine biosynthetic process
• GO:0009088 threonine biosynthetic process
• GO:0016311 dephosphorylation
• GO:0046654 tetrahydrofolate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1rkv, PDBe:1rkv, PDBj:1rkv
• PDBsum: 1rkv
• PubMed: 14699121
• UniProt: Q9I2Y2|THRH_PSEAE Phosphoserine phosphatase ThrH (Gene Name=thrH)