4ZX2: Co-crystal structures of PP5

Co-crystal structures of PP5 in complex with 5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid. Determined by X-ray diffraction at 1.23 Å resolution. Released 27 Apr 2016.

Method
X-ray diffraction
Resolution
1.23 Å
Organism
Homo sapiens
Chains
1
Atoms
3,077
Mol. weight
38.43 kDa
Ligands
MRD, 4TE, MN
Released
27 Apr 2016

Explore 4ZX2 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4ZX2 contains 14 α-helices and 18 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 14 helices, 18 β-strands

ElementResiduesLengthSheet
α-helix168-1703
β-strand18211
β-strand18511
α-helix188-19912
α-helix206-22116
β-strand226-22942
β-strand236-24053
β-strand24214
α-helix247-25711
β-strand266-26943
α-helix279-29214
β-strand297-30043
α-helix307-3137
α-helix315-3228
α-helix325-33511
β-strand341-34442
β-strand348-35032
α-helix363-3675
α-helix374-3763
α-helix380-3867
β-strand388-38925
β-strand395-39735
β-strand404-40635
α-helix408-41710
β-strand422-42542
β-strand434-43742
α-helix438-4403
β-strand442-44542
β-strand44614
α-helix451-4533
β-strand459-46573
β-strand468-47693

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Serine/threonine-protein phosphatase 5Aprotein333Homo sapiensP53041 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>4ZX2_1 Serine/threonine-protein phosphatase 5 (chains A)
GASMTIEDEYSGPKLEDGKVTISFMKELMQWYKDQKKLHRKCAYQILVQVKEVLSKLSTL
VETTLKETEKITVCGDTHGQFYDLLNIFELNGLPSETNPYIFNGDFVDRGSFSVEVILTL
FGFKLLYPDHFHLLRGNHETDNMNQIYGFEGEVKAKYTAQMYELFSEVFEWLPLAQCING
KVLIMHGGLFSEDGVTLDDIRKIERNRQPPDSGPMCDLLWSDPQPQNGRSISKRGVSCQF
GPDVTKAFLEENNLDYIIRSHEVKAEGYEVAHGGRCVTVFSAPNYCDQMGNKASYIHLQG
SDLRPQFHQFTAVPHPNVKPMAYANTLLQLGMM

Ligands and cofactors

IDNameFormulaCopies
MRD(4R)-2-methylpentane-2,4-diolC6 H14 O21
4TE(1S,2R,3S,4R,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acidC9 H12 O51
MNManganese (II) ionMn2

Water and common crystallization additives (MPD) are not listed.

Primary citation

Crystal structures and mutagenesis of PPP-family ser/thr protein phosphatases elucidate the selectivity of cantharidin and novel norcantharidin-based inhibitors of PP5C. Chattopadhyay, D., Swingle, M.R., Salter, E.A. et al. Biochem Pharmacol (2016) 109:14-26. DOI 10.1016/j.bcp.2016.03.011 · PubMed

Other PDB entries of the same protein (UniProt P53041 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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