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Crystal structure of the tatd deoxyribonuclease MW0446 from staphylococcus aureus. northeast structural genomics consortium target ZR237.

Analyse Crystal structure of the tatd deoxyribonuclease MW0446 from staphylococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2GZX
Type
protein
Length
506 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative tatd related DNase
UniProt
Q1Y6Z0
Ligands
NI
Pockets
1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPutative tatd related DNaseprotein25349% helix, 17% strandQ1Y6Z0

Ligands and binding sites

  • NI · Nickel (II) ion · metal · 4 copies · chains A, B

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
19370.720.7682NI

Interfaces

1 interface between chains.

  • A–B · 598 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 2GZX · Crystal Structure of the TatD deoxyribonuclease MW0446 from Staphylococcus aureus.… · the same entry in another collection · chain A against A, TM-score 1.00

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