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The transient complex of poplar plastocyanin with turnip cytochrome F determined with paramagnetic NMR

Analyse The transient complex of poplar plastocyanin with turnip cytochrome F… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1TKW
Type
protein
Length
349 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Plastocyanin a; Cytochrome F
UniProt
P00299, P36438
Ligands
HEC, CU
Pockets
2 · best druggability 0.73

Structure

solution nmr · 2 distinct chains · 7% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APlastocyanin aprotein993% helix, 37% strandP00299
BCytochrome Fprotein2508% helix, 40% strandP36438

Ligands and binding sites

  • HEC · Heme C · ligand · chains A, B
  • CU · Copper (II) ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15210.730.8272HEC
22180.530.7730empty

Interfaces

1 interface between chains.

  • A–B · 676 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 cofactor (heme c attachment).

Compared structures

  • 1TKW · The transient complex of poplar plastocyanin with turnip cytochrome f determined with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P00299 · AlphaFold monomer V2.0 prediction for plastocyanin a, chloroplastic (P00299) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P36438 · AlphaFold monomer V2.0 prediction for cytochrome F (P36438) · a predicted model of the same protein · chain B against A, TM-score 0.99

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