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Crystal structure of a NTF2-like protein (CHU_1428) from cytophaga hutchinsonii atcc 33406 at 1.60 a resolution

Analyse Crystal structure of a NTF2-like protein (CHU_1428) from cytophaga hutchinsonii… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2R4I
Type
protein
Length
481 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
Q11V67
Pockets
5 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 27% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein12327% helix, 54% strandQ11V67
BUncharacterized proteinprotein12127% helix, 56% strandQ11V67
CUncharacterized proteinprotein12028% helix, 56% strandQ11V67
DUncharacterized proteinprotein11725% helix, 58% strandQ11V67

Ligands and binding sites

  • IPA · Isopropyl alcohol · additive · 8 copies · chains A, B, C, D
  • GOL · Glycerol · additive · 2 copies · chains B, A
  • CIT · Citric acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13190.720.8434IPA
22130.720.8730IPA, GOL
32040.700.8632IPA
47580.690.7661empty
51960.690.8630empty

Interfaces

5 interfaces between chains.

  • C–D · 1228 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 1213 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 243 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 47 Ų buried · 1 hydrogen bond · protein-protein
  • A–D · 35 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 2R4I · Crystal structure of a NTF2-like protein (CHU_1428) from cytophaga hutchinsonii atcc… · the same entry in another collection · chain A against A, TM-score 1.00

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