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MolNFT v1 · #85801 · protein

Crystal form II of the D93N mutant of nucleoside diphosphate kinase from mycobacterium tuberculosis

4AND: “Crystal form II of the D93N mutant of nucleoside diphosphate kinase from mycobacterium tuberculosis”. X-ray diffraction, 2 pockets (best druggability 0.47). MolNFT v1 #85801 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
4AND
Type
protein
Length
265 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nucleoside diphosphate kinase
EC
2.7.4.6
UniProt
P84284
Pockets
2 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANucleoside diphosphate kinase (EC 2.7.4.6)protein13544% helix, 19% strandP84284
BNucleoside diphosphate kinase (EC 2.7.4.6)protein13043% helix, 20% strandP84284

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11830.470.7632empty
21520.420.7426empty

Interfaces

1 interface between chains.

  • A–B · 694 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 4AND · Crystal form II of the D93N mutant of nucleoside diphosphate kinase from mycobacterium… · the same entry in another collection · chain A against A, TM-score 1.00

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