Structure of PDB 2hhl Chain A Binding Site BS01

Receptor Information

>2hhl Chain A (length=180) Species: 9606 (Homo sapiens)

QVIPIPSPPAKYLLPEVTVLDYGKKCVVIDLDETLVHSSFKPISNADFIV
PVEIDGTIHQVYVLKRPHVDEFLQRMGQLFECVLFTASLAKYADPVADLL
DRWGVFRARLFRESCVFHRGNYVKDLSRLGRELSKVIIVDNSPASYIFHP
ENAVPVQSWFDDMTDTELLDLIPFFEGLSR

Ligand information

• Ligand ID: KEG
• InChI: InChI=1S/HO4P.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
• InChIKey: WLQKSSFZMDTTCM-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12
  CACTVS 3.385: O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]%10%11%12(=O)O[W]%13%14(=O)(O2)O[W]%15%16(=O)(O3)O[W]%17%18(=O)(O5)O[W]%19%20(=O)(O6)O[W]%21(=O)(O8)(O%10)O[W]%22%23(=O)(O%19)O[W]%24(=O)(O%15)(O%17)O[W](=O)(O%13)(O%11)(O%22)[O]%12%14[P]([O]479)([O]%16%18%24)[O]%20%21%23
• Formula: O40 P W12
• Name: 12-TUNGSTOPHOSPHATE
• PDB chain: 2hhl Chain A Residue 902

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2hhl Structural genomics of protein phosphatases.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): H41 F44 K45
• Binding residue (residue number reindexed from 1): H37 F40 K41
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.16: protein-serine/threonine phosphatase.

Gene Ontology

Molecular Function

• GO:0008420 RNA polymerase II CTD heptapeptide repeat phosphatase activity
• GO:0016791 phosphatase activity

External links

• PDB: RCSB:2hhl, PDBe:2hhl, PDBj:2hhl
• PDBsum: 2hhl
• PubMed: 18058037
• UniProt: O15194|CTDSL_HUMAN CTD small phosphatase-like protein (Gene Name=CTDSPL)