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MolNFT v1 · #164726 · protein

Pii-like protein cuta from nostoc sp. pcc 7120 in apo form

6T76 · Periplasmic divalent cation tolerance protein: “Pii-like protein cuta from nostoc sp. pcc 7120 in apo form”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability 0.89). MolNFT v1 #164726 on GenesisL1: 3D structure…

PDB
6T76
Type
protein
Length
618 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Periplasmic divalent cation tolerance protein
UniProt
Q8YL42
Ligands
SO4
Pockets
11 · best druggability 0.89

Structure

x-ray diffraction · 4 distinct chains · 35% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, EPeriplasmic divalent cation tolerance proteinprotein10436% helix, 38% strandQ8YL42
CPeriplasmic divalent cation tolerance proteinprotein10333% helix, 38% strandQ8YL42
DPeriplasmic divalent cation tolerance proteinprotein10236% helix, 37% strandQ8YL42
FPeriplasmic divalent cation tolerance proteinprotein10134% helix, 38% strandQ8YL42

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 7 copies · chains A, B, C, E, D, F

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

Pockets

11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16040.890.9563empty
21290.820.9818empty
3970.790.9717empty
4930.620.8817empty
5950.620.8817empty

Interfaces

12 interfaces between chains.

  • E–F · 1139 Ų buried · 21 hydrogen bonds · protein-protein
  • A–D · 1112 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1111 Ų buried · 21 hydrogen bonds · protein-protein
  • C–F · 1107 Ų buried · 20 hydrogen bonds · protein-protein
  • C–E · 1105 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 6T76 · PII-like protein CutA from Nostoc sp. PCC 7120 in apo form · the same entry in another collection · chain A against A, TM-score 1.00

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