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MolNFT v1 · #139376 · protein

Staphylococcus aureus ftsz 12-316 complexed with TXA6101

5XDU · Cell division protein ftsz: “Staphylococcus aureus ftsz 12-316 complexed with TXA6101”. X-ray diffraction, 3 ligands (GDP, ZI6, CA), 3 pockets (best druggability 0.74). MolNFT v1 #139376 on GenesisL1: 3D structure, binding sites and…

PDB
5XDU
Type
protein
Length
306 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cell division protein ftsz
UniProt
Q6GHP9
Ligands
GDP, ZI6, CA
Pockets
3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACell division protein ftszprotein30646% helix, 24% strandQ6GHP9

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · chains A
  • ZI6 · 3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12210.740.8936ZI6
22310.590.8038GDP
31210.470.7816empty

Compared structures

  • 5XDU · Staphylococcus aureus FtsZ 12-316 complexed with TXA6101 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q6GHP9 · AlphaFold monomer V2.0 prediction for cell division protein ftsz (Q6GHP9) · a predicted model of the same protein · chain A against A, TM-score 0.89

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