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MolNFT v1 · #179697 · protein

Structure of STU2 bound to dwarf NDC80C

7KDF · NDC80 isoform 1,NDC80 isoform 1: “Structure of STU2 bound to dwarf NDC80C”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.57). MolNFT v1 #179697 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7KDF
Type
protein
Length
713 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NDC80 isoform 1,NDC80 isoform 1; NUF2 isoform 1,NUF2 isoform 1; SPC24; SPC25 isoform…
UniProt
A0A6A5Q2M2, A0A6A5Q3C2, A0A6A5PX14, A0A6A5PTU3
Ligands
SO4
Pockets
7 · best druggability 0.57

Structure

x-ray diffraction · 5 distinct chains · 65% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANDC80 isoform 1,NDC80 isoform 1protein27074% helix, 0% strandA0A6A5Q2M2
BNUF2 isoform 1,NUF2 isoform 1protein20770% helix, 0% strandA0A6A5Q3C2
CSPC24protein9551% helix, 8% strand—
DSPC25 isoform 1,SPC25 isoform 1protein11350% helix, 17% strandA0A6A5PX14
ESTU2protein2861% helix, 0% strandA0A6A5PTU3

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B, E

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
12400.570.7828empty
2850.550.8519empty
31030.390.7624empty
4720.360.7712empty
5930.360.7419empty

Interfaces

8 interfaces between chains.

  • A–B · 3403 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 1190 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 1067 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 983 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 796 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (engineered).

Compared structures

  • 7KDF · Structure of Stu2 Bound to dwarf Ndc80c · the same entry in another collection · chain A against A, TM-score 1.00

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