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Crystal structure of the P64488 protein from E.COLI (strain K12). northeast structural genomics consortium target ER596

Analyse Crystal structure of the P64488 protein from E.COLI (strain K12). northeast… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3BB6
Type
protein
Length
436 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein year
UniProt
P64488
Ligands
ZN
Pockets
1 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 5% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized protein yearprotein1097% helix, 47% strandP64488
BUncharacterized protein yearprotein1117% helix, 43% strandP64488
CUncharacterized protein yearprotein1134% helix, 41% strandP64488
DUncharacterized protein yearprotein1033% helix, 45% strandP64488

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111830.800.81127ZN

Interfaces

4 interfaces between chains.

  • A–C · 1133 Ų buried · 15 hydrogen bonds · protein-protein
  • B–D · 1129 Ų buried · 18 hydrogen bonds · protein-protein
  • B–C · 963 Ų buried · 22 hydrogen bonds · protein-protein
  • A–D · 727 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 modified (engineered).

Compared structures

  • 3BB6 · Crystal structure of the P64488 protein from E.coli (strain K12). Northeast Structural… · the same entry in another collection · chain D against D, TM-score 1.00
  • P64488 · AlphaFold monomer V2.0 prediction for uncharacterized protein year (P64488) · a predicted model of the same protein · chain A against A, TM-score 0.96

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