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MolNFT v1 · #155860 · protein

Crystal structure of DPS1 from the thermophilic non-heterocystous filamentous cyanobacterium thermoleptolyngbya sp. O-77

6LKP · DNA protection during starvation protein: “Crystal structure of DPS1 from the thermophilic non-heterocystous filamentous cyanobacterium…”. X-ray diffraction, 2 ligands (ZN, FE), 12 pockets (best druggability 0.55). MolNFT v1 #155860…

PDB
6LKP
Type
protein
Length
1,001 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA protection during starvation protein
EC
1.16.-.-
UniProt
A0A0X8WZ56
Ligands
ZN, FE
Pockets
12 · best druggability 0.55

Structure

x-ray diffraction · 6 distinct chains · 70% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA protection during starvation protein (EC 1.16.-.-)protein17168% helix, 0% strandA0A0X8WZ56
BDNA protection during starvation protein (EC 1.16.-.-)protein16870% helix, 1% strandA0A0X8WZ56
CDNA protection during starvation protein (EC 1.16.-.-)protein17267% helix, 1% strandA0A0X8WZ56
DDNA protection during starvation protein (EC 1.16.-.-)protein17069% helix, 1% strandA0A0X8WZ56
EDNA protection during starvation protein (EC 1.16.-.-)protein16771% helix, 1% strandA0A0X8WZ56
FDNA protection during starvation protein (EC 1.16.-.-)protein15373% helix, 0% strandA0A0X8WZ56

Ligands and binding sites

  • ZN · Zinc ion · metal · 12 copies · chains A, B, C, D, F, E
  • FE · Fe (III) ion · metal · 12 copies · chains A, D, B, C, F, E

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12540.550.7742ZN
2720.530.8625FE
3680.460.8317empty
41010.440.7917FE
5750.410.7915empty

Interfaces

10 interfaces between chains.

  • D–E · 1728 Ų buried · 20 hydrogen bonds · protein-protein
  • B–C · 1709 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 849 Ų buried · 12 hydrogen bonds · protein-protein
  • C–D · 837 Ų buried · 12 hydrogen bonds · protein-protein
  • C–E · 789 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 6LKP · Crystal structure of Dps1 from the thermophilic non-heterocystous filamentous… · the same entry in another collection · chain A against A, TM-score 1.00

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