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MolNFT v2 · #51028 · protein

Structure of the signal-regulatory protein (SIRP) alpha domain that binds CD47.

2UV3 · Tyrosine-protein phosphatase non-receptor type substrate 1: “Structure of the signal-regulatory protein (SIRP) alpha domain that binds CD47.”. X-ray diffraction at 1.8, 1 ligand (SO4), 2 pockets (best druggability 0.57). MolNFT v2…

PDB
2UV3
Type
protein
Length
242 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.8
Source
HOMO SAPIENS
Molecule
Tyrosine-protein phosphatase non-receptor type substrate 1
UniProt
P78324
Ligands
SO4
Pockets
2 · best druggability 0.57

Structure

x-ray diffraction · resolution 1.8 · 2 distinct chains · 2% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosine-protein phosphatase non-receptor type substrate 1protein1203% helix, 41% strandP78324
BTyrosine-protein phosphatase non-receptor type substrate 1protein1222% helix, 40% strandP78324

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11350.570.8328empty
2890.410.7826empty

Interfaces

1 interface between chains.

  • A–B · 814 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 2UV3 · Structure of the signal-regulatory protein (sirp) alpha domain that binds CD47. · the same entry in another collection · chain A against A, TM-score 1.00
  • P78324 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase non-receptor type… · a predicted model of the same protein · chain B against A, TM-score 0.94

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