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Nucleoside diphosphate kinase from aspergillus fumgiatus AF293

Analyse Nucleoside diphosphate kinase from aspergillus fumgiatus AF293 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6XP4
Type
protein
Length
929 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nucleoside diphosphate kinase
EC
2.7.4.6
UniProt
Q7Z8P9
Pockets
11 · best druggability 0.78

Structure

x-ray diffraction · 6 distinct chains · 47% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANucleoside diphosphate kinase (EC 2.7.4.6)protein15646% helix, 15% strandQ7Z8P9
BNucleoside diphosphate kinase (EC 2.7.4.6)protein15746% helix, 15% strandQ7Z8P9
CNucleoside diphosphate kinase (EC 2.7.4.6)protein15546% helix, 15% strandQ7Z8P9
DNucleoside diphosphate kinase (EC 2.7.4.6)protein15447% helix, 16% strandQ7Z8P9
ENucleoside diphosphate kinase (EC 2.7.4.6)protein15447% helix, 16% strandQ7Z8P9
FNucleoside diphosphate kinase (EC 2.7.4.6)protein15348% helix, 16% strandQ7Z8P9

Pockets

11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16570.780.8368empty
23510.760.8664empty
39860.720.7697empty
4930.520.8321empty
51070.490.8023empty

Interfaces

5 interfaces between chains.

  • A–C · 990 Ų buried · 16 hydrogen bonds · protein-protein
  • B–D · 982 Ų buried · 15 hydrogen bonds · protein-protein
  • B–F · 856 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 774 Ų buried · 4 hydrogen bonds · protein-protein
  • C–E · 143 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6XP4 · Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 · the same entry in another collection · chain F against F, TM-score 1.00
  • Q7Z8P9 · AlphaFold monomer V2.0 prediction for nucleoside diphosphate kinase (Q7Z8P9) · a predicted model of the same protein · chain F against A, TM-score 0.98

Analyse

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