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Structure of human SCP1 bound to cis-proline peptidomimetic ctd phospho-SER5 peptide

Analyse Structure of human SCP1 bound to cis-proline peptidomimetic ctd phospho-SER5… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4YH1
Type
protein
Length
366 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Carboxy-terminal domain RNA polymerase II polypeptide a small phosphatase 1; A small…
EC
3.1.3.16
UniProt
Q9GZU7
Ligands
MG
Pockets
2 · best druggability 0.35

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCarboxy-terminal domain RNA polymerase II polypeptide a small phosphatase 1 (EC 3.1.3.16)protein17933% helix, 27% strandQ9GZU7
C, DA small phosphatase 1protein40% helix, 0% strand—

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, C, B, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1580.350.7814MG
2500.300.7614empty

Interfaces

4 interfaces between chains.

  • A–B · 583 Ų buried · 7 hydrogen bonds · protein-protein
  • B–D · 398 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 376 Ų buried · 15 hydrogen bonds · protein-protein
  • B–C · 55 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

  • 4YH1 · Structure of Human Scp1 bound to cis-proline peptidomimetic CTD phospho-Ser5 peptide · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9GZU7 · AlphaFold monomer V2.0 prediction for carboxy-terminal domain RNA polymerase II… · a predicted model of the same protein · chain B against A, TM-score 1.00

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