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MolNFT v1 · #69789 · protein

Crystal structure of SCP1 phosphatase D98A mutant

3L0Y · Carboxy-terminal domain RNA polymerase II polypeptide a…: “Crystal structure of SCP1 phosphatase D98A mutant”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.53). MolNFT v1 #69789 on GenesisL1: 3D structure…

PDB
3L0Y
Type
protein
Length
358 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Carboxy-terminal domain RNA polymerase II polypeptide a small phosphatase 1
EC
3.1.3.16
UniProt
Q9GZU7
Ligands
MG
Pockets
3 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCarboxy-terminal domain RNA polymerase II polypeptide a small phosphatase 1 (EC 3.1.3.16)protein17931% helix, 27% strandQ9GZU7

Ligands and binding sites

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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12820.530.7541empty
21480.480.7730MG
31330.430.7627MG

Interfaces

1 interface between chains.

  • A–B · 386 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 3L0Y · Crystal structure OF SCP1 phosphatase D98A mutant · 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 A against A, TM-score 1.00

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