Structure of PDB 4hjq Chain A Binding Site BS01

Receptor Information

>4hjq Chain A (length=281) Species: 9606 (Homo sapiens)

GFWEEFESLQKQEVKNLHQRLEGQRPENKGKNRYKNILPFDHSRVILQGR
DSNIPGSDYINANYIKNQLLGPDENAKTYIASQGCLEATVNDFWQMAWQE
NSRVIVMTTREVEKGRNKCVPYWPEVGMQRAYGPYSVTNCGEHDTTEYKL
RTLQVSPLDNGDLIREIWHYQYLSWPDHGVPSEPGGVLSFLDQINQRQES
LPHAGPIIVHSSAGIGRTGTIIVIDMLMENISTKGLDCDIDIQKTIQMVR
AQRSGMVQTEAQYKFIYVAIAQFIETTKKKL

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: 4hjq Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hjq SHP Family Protein Tyrosine Phosphatases Adopt Canonical Active-Site Conformations in the Apo and Phosphate-Bound States.
• Resolution: 1.8013 Å
• Binding residue (original residue number in PDB): D419 S453 S454 A455 I457 G458 R459
• Binding residue (residue number reindexed from 1): D177 S211 S212 A213 I215 G216 R217
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D419 S453 R459 T460 Q500
• Catalytic site (residue number reindexed from 1): D177 S211 R217 T218 Q258
• Enzyme Commision number: 3.1.3.48: protein-tyrosine-phosphatase.

Gene Ontology

Molecular Function

• GO:0004725 protein tyrosine phosphatase activity

Biological Process

• GO:0006470 protein dephosphorylation
• GO:0016311 dephosphorylation

External links

• PDB: RCSB:4hjq, PDBe:4hjq, PDBj:4hjq
• PDBsum: 4hjq
• PubMed: 23514039
• UniProt: P29350|PTN6_HUMAN Tyrosine-protein phosphatase non-receptor type 6 (Gene Name=PTPN6)