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MolNFT v1 · #124326 · protein

Co-crystal structure of the saccharomyces cerevisiae histidine phosphotransfer signaling protein YPD1 and the receiver domain of its downstream response regulator SSK1

5KBX · Phosphorelay intermediate protein YPD1: “Co-crystal structure of the saccharomyces cerevisiae histidine phosphotransfer signaling protein YPD1 and the…”. X-ray diffraction, 1 ligand (PO4), 1 pocket (best druggability 0.53). MolNFT…

PDB
5KBX
Type
protein
Length
297 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphorelay intermediate protein YPD1; Osmolarity two-component system protein SSK1
UniProt
Q07688, Q07084
Ligands
PO4
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphorelay intermediate protein YPD1protein15265% helix, 1% strandQ07688
BOsmolarity two-component system protein SSK1protein14541% helix, 16% strandQ07084

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11540.530.8030PO4

Interfaces

1 interface between chains.

  • A–B · 811 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

  • 5KBX · Co-crystal structure of the Saccharomyces cerevisiae histidine phosphotransfer signaling… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q07688 · AlphaFold monomer V2.0 prediction for phosphorelay intermediate protein YPD1 (Q07688) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q07084 · AlphaFold monomer V2.0 prediction for osmolarity two-component system protein SSK1… · a predicted model of the same protein · chain B against A, TM-score 0.94

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