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MolNFT v1 · #124627 · protein

A 1.55A X-ray structure from vibrio cholerae O1 biovar el tor of a hypothetical protein

5KKO · Uncharacterised protein: “A 1.55A X-ray structure from vibrio cholerae O1 biovar el tor of a hypothetical protein”. X-ray diffraction, 5 pockets (best druggability 0.63). MolNFT v1 #124627 on GenesisL1: 3D structure, binding sites…

PDB
5KKO
Type
protein
Length
313 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterised protein
UniProt
A0A0H7H6M3
Pockets
5 · best druggability 0.63

Structure

x-ray diffraction · 6 distinct chains · 52% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterised proteinprotein5349% helix, 9% strandA0A0H7H6M3
BUncharacterised proteinprotein5454% helix, 9% strandA0A0H7H6M3
CUncharacterised proteinprotein5547% helix, 9% strandA0A0H7H6M3
DUncharacterised proteinprotein5258% helix, 10% strandA0A0H7H6M3
EUncharacterised proteinprotein5448% helix, 0% strandA0A0H7H6M3
FUncharacterised proteinprotein4558% helix, 0% strandA0A0H7H6M3

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13150.630.7937empty
21710.490.7723empty
32040.470.7533empty
4660.310.7515empty
5590.260.7222empty

Interfaces

11 interfaces between chains.

  • B–C · 1271 Ų buried · 11 hydrogen bonds · protein-protein
  • A–D · 1268 Ų buried · 7 hydrogen bonds · protein-protein
  • C–E · 650 Ų buried · 6 hydrogen bonds · protein-protein
  • D–F · 500 Ų buried · 6 hydrogen bonds · protein-protein
  • A–E · 176 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 5KKO · A 1.55A X-Ray Structure from Vibrio cholerae O1 biovar El Tor of a Hypothetical Protein · the same entry in another collection · chain A against A, TM-score 1.00

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