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MolNFT v1 · #176147 · protein

Crystal structure of the N-terminal domain of tagh from bacillus subtilis

7DD0 · Teichoic acids export ATP-binding protein tagh: “Crystal structure of the N-terminal domain of tagh from bacillus subtilis”. X-ray diffraction, 14 pockets (best druggability 0.83). MolNFT v1 #176147 on GenesisL1: 3D structure…

PDB
7DD0
Type
protein
Length
997 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Teichoic acids export ATP-binding protein tagh
EC
7.5.2.4
UniProt
P42954
Pockets
14 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 43% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATeichoic acids export ATP-binding protein tagh (EC 7.5.2.4)protein24445% helix, 27% strandP42954
BTeichoic acids export ATP-binding protein tagh (EC 7.5.2.4)protein26041% helix, 25% strandP42954
CTeichoic acids export ATP-binding protein tagh (EC 7.5.2.4)protein25241% helix, 26% strandP42954
DTeichoic acids export ATP-binding protein tagh (EC 7.5.2.4)protein24143% helix, 27% strandP42954

Pockets

14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17450.830.87108empty
25300.790.8683empty
33050.710.8569empty
43310.710.8437empty
5900.710.9425empty

Interfaces

6 interfaces between chains.

  • B–D · 2256 Ų buried · 26 hydrogen bonds · protein-protein
  • A–C · 1878 Ų buried · 25 hydrogen bonds · protein-protein
  • C–D · 307 Ų buried · 1 hydrogen bond · protein-protein
  • A–B · 285 Ų buried · 1 hydrogen bond · protein-protein
  • A–D · 227 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7DD0 · Crystal structure of the N-terminal domain of TagH from Bacillus subtilis · the same entry in another collection · chain D against D, TM-score 1.00
  • P42954 · AlphaFold monomer V2.0 prediction for teichoic acids export ATP- binding protein tagh… · a predicted model of the same protein · chain A against A, TM-score 0.96

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