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MolNFT v1 · #71372 · protein

Crystal structure of the nac domain of alpha subunit of nascent polypeptide-associated COMPLEX(NAC)

3MCE · Nascent polypeptide-associated complex subunit alpha: “Crystal structure of the nac domain of alpha subunit of nascent polypeptide-associated COMPLEX(NAC)”. X-ray diffraction, 1 ligand (IOD), 1 pocket (best druggability 0.74).…

PDB
3MCE
Type
protein
Length
233 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nascent polypeptide-associated complex subunit alpha
UniProt
Q13765
Ligands
IOD
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 8% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANascent polypeptide-associated complex subunit alphaprotein575% helix, 49% strandQ13765
BNascent polypeptide-associated complex subunit alphaprotein6010% helix, 50% strandQ13765
CNascent polypeptide-associated complex subunit alphaprotein5910% helix, 49% strandQ13765
DNascent polypeptide-associated complex subunit alphaprotein577% helix, 60% strandQ13765

Ligands and binding sites

  • IOD · Iodide ion · ion · 8 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1580.740.9819empty

Interfaces

6 interfaces between chains.

  • C–D · 1028 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 995 Ų buried · 21 hydrogen bonds · protein-protein
  • A–C · 421 Ų buried · 1 hydrogen bond · protein-protein
  • B–D · 355 Ų buried · 2 hydrogen bonds · protein-protein
  • B–C · 351 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 3MCE · Crystal structure of the NAC domain of alpha subunit of nascent polypeptide-associated… · the same entry in another collection · chain D against D, TM-score 1.00
  • Q13765 · AlphaFold monomer V2.0 prediction for nascent polypeptide-associated complex subunit… · a predicted model of the same protein · chain D against A, TM-score 0.85

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