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MolNFT v1 · #153404 · protein

Crystal structure of N-acetyl mannosmaine kinase in complex with mannac from haemophilus influenzae

6JDC · N-acetylmannosamine kinase: “Crystal structure of N-acetyl mannosmaine kinase in complex with mannac from haemophilus influenzae”. X-ray diffraction, 2 ligands (BM3, ZN), 1 pocket (best druggability 0.77). MolNFT v1 #153404 on…

PDB
6JDC
Type
protein
Length
269 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
N-acetylmannosamine kinase
EC
2.7.1.60
UniProt
Q4QP43
Ligands
BM3, ZN
Pockets
1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AN-acetylmannosamine kinase (EC 2.7.1.60)protein26938% helix, 25% strandQ4QP43

Ligands and binding sites

  • BM3 · 2-acetamido-2-deoxy-alpha-D-mannopyranose · ligand · chains A
  • ZN · Zinc ion · metal · 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
11590.770.9439BM3

Compared structures

  • 6JDC · Crystal structure of N-acetyl mannosmaine kinase in complex with ManNAc from Haemophilus… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q4QP43 · AlphaFold monomer V2.0 prediction for N-acetylmannosamine kinase (Q4QP43) · a predicted model of the same protein · chain A against A, TM-score 0.89

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