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MolNFT v1 · #23233 · protein

The complex of nostoc cytochrome F and plastocyanin determin with paramagnetic NMR. based on the structures of cytochrome F and plastocyanin, 10 structures

1TU2: “The complex of nostoc cytochrome F and plastocyanin determin with paramagnetic NMR. based on the structures…”. Solution nmr, 2 ligands (HEC, CU), 3 pockets (best druggability 0.76). MolNFT v1 #23233 on GenesisL1: 3D structure…

PDB
1TU2
Type
protein
Length
359 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Plastocyanin; Apocytochrome F
UniProt
P46444, Q93SW9
Ligands
HEC, CU
Pockets
3 · best druggability 0.76

Structure

solution nmr · 2 distinct chains · 9% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APlastocyaninprotein1056% helix, 23% strandP46444
BApocytochrome Fprotein25411% helix, 38% strandQ93SW9

Ligands and binding sites

  • HEC · Heme C · ligand · chains B
  • CU · Copper (II) 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15630.760.8365HEC
2780.310.7315empty
3540.270.7312empty

Interfaces

1 interface between chains.

  • A–B · 423 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 1TU2 · The complex of nostoc cytochrome F and plastocyanin determin with paramagnetic NMR. based… · the same entry in another collection · chain B against B, TM-score 1.00
  • Q93SW9 · AlphaFold monomer V2.0 prediction for cytochrome F (Q93SW9) · a predicted model of the same protein · chain B against A, TM-score 0.97
  • P46444 · AlphaFold monomer V2.0 prediction for plastocyanin (P46444) · a predicted model of the same protein · chain A against A, TM-score 0.85

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