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MolNFT v1 · #183416 · protein

Complex of nucleoporin-98 and nanobody MS98-27 solved at 1.85A resolution

7NOW · Anti-NUP98 nanobody MS98-27: “Complex of nucleoporin-98 and nanobody MS98-27 solved at 1.85A resolution”. X-ray diffraction, 2 ligands (NA, SO4), 6 pockets (best druggability 0.51). MolNFT v1 #183416 on GenesisL1: 3D structure…

PDB
7NOW
Type
protein
Length
563 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Anti-NUP98 nanobody MS98-27; Nuclear pore complex protein NUP96
UniProt
A0A6I8PXX4
Ligands
NA, SO4
Pockets
6 · best druggability 0.51

Structure

x-ray diffraction · 3 distinct chains · 13% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAnti-NUP98 nanobody MS98-27protein1299% helix, 50% strand—
B, DNuclear pore complex protein NUP96protein15318% helix, 37% strandA0A6I8PXX4
CAnti-NUP98 nanobody MS98-27protein12812% helix, 48% strand—

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains B, D
  • SO4 · Sulfate ion · ion · 3 copies · chains B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12960.510.7439empty
21750.480.7619SO4
31720.430.7424empty
4540.320.7718empty
5750.320.7417SO4

Interfaces

4 interfaces between chains.

  • C–D · 890 Ų buried · 28 hydrogen bonds · protein-protein
  • A–B · 857 Ų buried · 21 hydrogen bonds · protein-protein
  • A–D · 378 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 373 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 7NOW · Complex of Nucleoporin-98 and nanobody MS98-27 solved at 1.85A resolution · the same entry in another collection · chain A against A, TM-score 1.00

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