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MolNFT v1 · #162523 · protein

Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative

6RBS: “Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative”. X-ray diffraction, 1 ligand (JXT), 1 pocket (best druggability 0.55). MolNFT v1 #162523 on GenesisL1: 3D structure, binding sites…

PDB
6RBS
Type
protein
Length
261 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NAD kinase 1
EC
2.7.1.23
UniProt
Q8Y8D7
Ligands
JXT
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANAD kinase 1 (EC 2.7.1.23)protein26121% helix, 42% strandQ8Y8D7

Ligands and binding sites

  • JXT · 8-bromanyl-9-pent-4-ynyl-purin-6-amine · ligand · chains A
  • CIT · Citric acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11130.550.8323CIT

Compared structures

  • 6RBS · Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine… · the same entry in another collection · chain A against A, TM-score 1.00

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