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Crystal structure of zinc binding protein zint in complex with citrate from E. COLI

Analyse Crystal structure of zinc binding protein zint in complex with citrate from E.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5YXC
Type
protein
Length
374 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Metal-binding protein zint
UniProt
P76344
Ligands
ZN
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMetal-binding protein zintprotein18729% helix, 30% strandP76344

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • CIT · Citric acid · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16970.680.7669CIT
24850.680.7949ZN, CIT
3640.340.7719empty

Interfaces

1 interface between chains.

  • A–B · 322 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 5YXC · Crystal structure of Zinc binding protein ZinT in complex with citrate from E. coli · the same entry in another collection · chain A against A, TM-score 1.00
  • P76344 · AlphaFold monomer V2.0 prediction for metal-binding protein zint (P76344) · a predicted model of the same protein · chain A against A, TM-score 0.99

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