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MolNFT v1 · #83779 · protein

Crystal structure analysis of cell division protein

3WT0 · Cell division protein ftsa: “Crystal structure analysis of cell division protein”. X-ray diffraction, 2 ligands (ATP, MG), 20 pockets (best druggability 0.73). MolNFT v1 #83779 on GenesisL1: 3D structure, binding sites and pockets…

PDB
3WT0
Type
protein
Length
1,504 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cell division protein ftsa
UniProt
Q8NX33
Ligands
ATP, MG
Pockets
20 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCell division protein ftsaprotein37638% helix, 34% strandQ8NX33
CCell division protein ftsaprotein37438% helix, 34% strandQ8NX33
DCell division protein ftsaprotein37838% helix, 34% strandQ8NX33

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 4 copies · chains A, B, C, D
  • MG · Magnesium ion · metal · 4 copies · chains A, B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12700.730.8742ATP, MG
22410.720.8839ATP, MG
32580.720.8743ATP, MG
43360.710.8444ATP, MG
55060.670.7856empty

Interfaces

3 interfaces between chains.

  • A–C · 558 Ų buried · 4 hydrogen bonds · protein-protein
  • B–D · 373 Ų buried · 4 hydrogen bonds · protein-protein
  • C–D · 193 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 3WT0 · Crystal Structure Analysis of Cell Division Protein · the same entry in another collection · chain D against D, TM-score 1.00
  • Q8NX33 · AlphaFold monomer V2.0 prediction for cell division protein ftsa (Q8NX33) · a predicted model of the same protein · chain C against A, TM-score 1.00

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