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MolNFT v1 · #167222 · protein

X-ray structure of human REV7 in complex with SHIELDIN3 (residues 41- 74)

6VE5 · Mitotic spindle assembly checkpoint protein MAD2B: “X-ray structure of human REV7 in complex with SHIELDIN3 (residues 41- 74)”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.40). MolNFT v1 #167222 on GenesisL1: 3D…

PDB
6VE5
Type
protein
Length
229 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mitotic spindle assembly checkpoint protein MAD2B; Shieldin complex subunit 3
UniProt
Q9UI95, Q6ZNX1
Ligands
SO4
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMitotic spindle assembly checkpoint protein MAD2Bprotein20237% helix, 29% strandQ9UI95
BShieldin complex subunit 3protein2737% helix, 11% strandQ6ZNX1

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11180.400.7530empty

Interfaces

1 interface between chains.

  • A–B · 1259 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 6VE5 · X-ray structure of human REV7 in complex with Shieldin3 (residues 41-74) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UI95 · AlphaFold monomer V2.0 prediction for mitotic spindle assembly checkpoint protein MAD2B… · a predicted model of the same protein · chain A against A, TM-score 0.96
  • Q6ZNX1 · AlphaFold monomer V2.0 prediction for shieldin complex subunit 3 (Q6ZNX1) · a predicted model of the same protein · chain B against A, TM-score 0.45

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