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MolNFT v1 · #158549 · protein

Crystal structure of mouse REC114 pH domain in complex with ANKRD31 C terminus

6NXF · Meiotic recombination protein REC114: “Crystal structure of mouse REC114 pH domain in complex with ANKRD31 C terminus”. X-ray diffraction, 3 pockets (best druggability 0.54). MolNFT v1 #158549 on GenesisL1: 3D structure, binding…

PDB
6NXF
Type
protein
Length
339 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Meiotic recombination protein REC114; Ankyrin repeat domain 31
UniProt
Q9CWH4, A0A140LI88
Pockets
3 · best druggability 0.54

Structure

x-ray diffraction · 4 distinct chains · 22% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMeiotic recombination protein REC114protein12513% helix, 55% strandQ9CWH4
BMeiotic recombination protein REC114protein12013% helix, 56% strandQ9CWH4
VAnkyrin repeat domain 31protein4844% helix, 15% strandA0A140LI88
UAnkyrin repeat domain 31protein4646% helix, 7% strandA0A140LI88

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12690.540.7633empty
2910.450.8020empty
31190.430.7720empty

Interfaces

6 interfaces between chains.

  • B–V · 1925 Ų buried · 23 hydrogen bonds · protein-protein
  • A–U · 1883 Ų buried · 16 hydrogen bonds · protein-protein
  • A–V · 632 Ų buried · 13 hydrogen bonds · protein-protein
  • V–U · 150 Ų buried · 2 hydrogen bonds · protein-protein
  • A–B · 55 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 6NXF · Crystal structure of mouse REC114 PH domain in complex with ANKRD31 C terminus · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9CWH4 · AlphaFold monomer V2.0 prediction for meiotic recombination protein REC114 (Q9CWH4) · a predicted model of the same protein · chain B against A, TM-score 0.95

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