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MolNFT v1 · #75515 · protein

Crystal structure of the SPT6 tandem SH2 domain from saccharomyces cerevisiae, form native SPT6 (1247-1451)

3PSK · Transcription elongation factor SPT6: “Crystal structure of the SPT6 tandem SH2 domain from saccharomyces cerevisiae, form native SPT6 (1247-1451)”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.81). MolNFT v1…

PDB
3PSK
Type
protein
Length
766 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription elongation factor SPT6
UniProt
P23615
Ligands
SO4
Pockets
7 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 27% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTranscription elongation factor SPT6protein19926% helix, 31% strandP23615
CTranscription elongation factor SPT6protein18526% helix, 32% strandP23615
DTranscription elongation factor SPT6protein18328% helix, 32% strandP23615

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 12 copies · chains A, B, C, D

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17330.810.8587empty
24680.730.8251empty
32020.490.7524empty
42440.450.7232empty
51060.430.7716empty

Interfaces

5 interfaces between chains.

  • B–C · 776 Ų buried · 9 hydrogen bonds · protein-protein
  • A–D · 588 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 579 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 537 Ų buried · 5 hydrogen bonds · protein-protein
  • B–D · 257 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 3PSK · Crystal Structure of the Spt6 Tandem SH2 Domain from Saccharomyces cerevisiae, Form… · the same entry in another collection · chain A against A, TM-score 1.00
  • P23615 · AlphaFold monomer V2.0 prediction for transcription elongation factor SPT6 (P23615) · a predicted model of the same protein · chain D against A, TM-score 0.99

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