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MolNFT v1 · #72479 · protein

Crystal structure of the complex between the 25 kda subunit and the 59 kda subunit (rrm domain) of human cleavage factor im

3N9U · Cleavage and polyadenylation specificity factor subunit 5: “Crystal structure of the complex between the 25 kda subunit and the 59 kda subunit (rrm domain) of human…”. X-ray diffraction, 9 pockets (best druggability 0.69). MolNFT v1…

PDB
3N9U
Type
protein
Length
590 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cleavage and polyadenylation specificity factor subunit 5; Cleavage and polyadenylation…
UniProt
O43809, Q8N684
Pockets
9 · best druggability 0.69

Structure

x-ray diffraction · 4 distinct chains · 26% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACleavage and polyadenylation specificity factor subunit 5protein20623% helix, 37% strandO43809
BCleavage and polyadenylation specificity factor subunit 5protein20123% helix, 38% strandO43809
CCleavage and polyadenylation specificity factor subunit 7protein9636% helix, 31% strandQ8N684
ICleavage and polyadenylation specificity factor subunit 7protein8730% helix, 28% strandQ8N684

Ligands and binding sites

  • GOL · Glycerol · additive · 3 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15540.690.7848GOL
25500.680.7847GOL
31810.530.7833empty
41520.500.7831empty
51330.500.8018empty

Interfaces

5 interfaces between chains.

  • A–B · 1436 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 584 Ų buried · 14 hydrogen bonds · protein-protein
  • A–I · 537 Ų buried · 11 hydrogen bonds · protein-protein
  • B–I · 331 Ų buried · 1 hydrogen bond · protein-protein
  • A–C · 275 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 3N9U · Crystal Structure of the Complex between the 25 kDa Subunit and the 59 kDa Subunit (RRM… · the same entry in another collection · chain I against I, TM-score 1.00
  • Q8N684 · AlphaFold monomer V2.0 prediction for cleavage and polyadenylation specificity factor… · a predicted model of the same protein · chain C against A, TM-score 0.99
  • O43809 · AlphaFold monomer V2.0 prediction for cleavage and polyadenylation specificity factor… · a predicted model of the same protein · chain B against A, TM-score 0.99

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