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MolNFT v1 · #164228 · protein

Crystal structure of the rac core with a pseudo substrate bound to SSZ1 sbd

6SR6 · Putative heat shock protein: “Crystal structure of the rac core with a pseudo substrate bound to SSZ1 sbd”. X-ray diffraction, 2 ligands (ATP, MG), 14 pockets (best druggability 0.80). MolNFT v1 #164228 on GenesisL1: 3D structure…

PDB
6SR6
Type
protein
Length
1,149 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative heat shock protein; Putative ribosome associated protein
UniProt
G0RZX9, G0RYD6
Ligands
ATP, MG
Pockets
14 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 32% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative heat shock proteinprotein51932% helix, 36% strandG0RZX9
BPutative ribosome associated proteinprotein5225% helix, 31% strandG0RYD6
CPutative heat shock proteinprotein52431% helix, 36% strandG0RZX9
DPutative ribosome associated proteinprotein5430% helix, 30% strandG0RYD6

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, C
  • MG · Magnesium ion · metal · 2 copies · chains A, C

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

Pockets

14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15120.800.8764ATP, MG
26070.790.8572ATP, MG
33620.630.7937empty
43410.550.7546empty
52630.540.7624empty

Interfaces

3 interfaces between chains.

  • C–D · 2733 Ų buried · 39 hydrogen bonds · protein-protein
  • A–B · 2659 Ų buried · 43 hydrogen bonds · protein-protein
  • A–C · 422 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6SR6 · Crystal structure of the RAC core with a pseudo substrate bound to Ssz1 SBD · the same entry in another collection · chain A against A, TM-score 1.00

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