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MolNFT v1 · #137111 · protein

Structure of HACF7 EF1-EF2-gar domains

5VE9 · Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5: “Structure of HACF7 EF1-EF2-gar domains”. X-ray diffraction, 2 ligands (CA, ZN), 3 pockets (best druggability 0.52). MolNFT v1 #137111 on GenesisL1: 3D structure, binding…

PDB
5VE9
Type
protein
Length
253 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5
UniProt
Q9UPN3
Ligands
CA, ZN
Pockets
3 · best druggability 0.52

Structure

x-ray diffraction · 3 distinct chains · 48% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMicrotubule-actin cross-linking factor 1, isoforms 1/2/3/5protein8858% helix, 11% strandQ9UPN3
CMicrotubule-actin cross-linking factor 1, isoforms 1/2/3/5protein7428% helix, 35% strandQ9UPN3
BMicrotubule-actin cross-linking factor 1, isoforms 1/2/3/5protein9155% helix, 11% strandQ9UPN3

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, B
  • ZN · Zinc ion · metal · 2 copies · chains A, B, C

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
11990.520.7724empty
21010.440.7923empty
3550.240.7218empty

Interfaces

3 interfaces between chains.

  • A–B · 1070 Ų buried · 15 hydrogen bonds · protein-protein
  • C–B · 479 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 342 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5VE9 · Structure of hACF7 EF1-EF2-GAR domains · the same entry in another collection · chain A against A, TM-score 1.00

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