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MolNFT v1 · #38225 · protein

Crystal structure of udp-N-acetylenolpyruvylglucosamine reductase (murb) from thermus caldophilus

2GQT: “Crystal structure of udp-N-acetylenolpyruvylglucosamine reductase (murb) from thermus caldophilus”. X-ray diffraction, 2 ligands (FAD, CA), 2 pockets (best druggability 0.77). MolNFT v1 #38225 on GenesisL1: 3D structure, binding…

PDB
2GQT
Type
protein
Length
267 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Udp-N-acetylenolpyruvylglucosamine reductase
EC
1.1.1.158
Ligands
FAD, CA
Pockets
2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUdp-N-acetylenolpyruvylglucosamine reductase (EC 1.1.1.158)protein26728% helix, 27% strand—

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • CA · Calcium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17670.770.8171FAD
2570.290.7517empty

Compared structures

  • 2GQT · Crystal Structure of UDP-N-Acetylenolpyruvylglucosamine Reductase (MurB) from Thermus… · the same entry in another collection · chain A against A, TM-score 1.00

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