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MolNFT v1 · #99979 · protein

Crystal structure of the double mutant (S112A, H303A) of B.ANTHRACIS mycrocine immunity protein (mccf)

4MJX · Microcin immunity protein mccf: “Crystal structure of the double mutant (S112A, H303A) of B.ANTHRACIS mycrocine immunity protein (mccf)”. X-ray diffraction, 4 pockets (best druggability 0.59). MolNFT v1 #99979 on GenesisL1: 3D…

PDB
4MJX
Type
protein
Length
669 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Microcin immunity protein mccf
UniProt
Q81RT8
Pockets
4 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMicrocin immunity protein mccfprotein33332% helix, 23% strandQ81RT8
BMicrocin immunity protein mccfprotein33631% helix, 22% strandQ81RT8

Ligands and binding sites

  • GOL · Glycerol · additive · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13150.590.7735EDO
23220.590.7744GOL
3750.370.7718empty
4690.360.7718empty

Interfaces

1 interface between chains.

  • A–B · 1832 Ų buried · 41 hydrogen bonds · protein-protein

Compared structures

  • 4MJX · Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity… · the same entry in another collection · chain A against A, TM-score 1.00

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