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MolNFT v1 · #105826 · protein

Crystal structure of uncharacterized CRISPR/CAS system-associated protein CSM6 from streptococcus mutans

4RGP · CSM6_III-a: “Crystal structure of uncharacterized CRISPR/CAS system-associated protein CSM6 from streptococcus mutans”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.74). MolNFT v1 #105826 on GenesisL1: 3D…

PDB
4RGP
Type
protein
Length
510 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CSM6_III-a
UniProt
I6U2G5
Ligands
CA
Pockets
3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCSM6_III-aprotein25567% helix, 2% strandI6U2G5

Ligands and binding sites

  • CA · Calcium ion · metal · 7 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains B
  • PGE · Triethylene glycol · additive · 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18780.740.7867CA
2620.710.9723empty
3590.700.9720empty

Interfaces

1 interface between chains.

  • A–B · 2030 Ų buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 4RGP · Crystal Structure of Uncharacterized CRISPR/Cas System-associated Protein Csm6 from… · the same entry in another collection · chain A against A, TM-score 1.00

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