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Crystal structure of a putative metal binding protein RUMGNA_00854 (ZP_02040092.1) from ruminococcus gnavus atcc 29149 at 1.30 a resolution

Analyse Crystal structure of a putative metal binding protein RUMGNA_00854… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3U7Z
Type
protein
Length
193 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative metal binding protein RUMGNA_00854
UniProt
A7AZY1
Ligands
CA
Pockets
3 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative metal binding protein RUMGNA_00854protein9713% helix, 47% strandA7AZY1
BPutative metal binding protein RUMGNA_00854protein9614% helix, 48% strandA7AZY1

Ligands and binding sites

  • CA · Calcium ion · metal · 12 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 8 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11980.610.8226empty
21020.410.7716EDO
3760.390.7713EDO

Interfaces

1 interface between chains.

  • A–B · 434 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 3U7Z · Crystal structure of a putative metal binding protein RUMGNA_00854 (ZP_02040092.1) from… · the same entry in another collection · chain A against A, TM-score 1.00

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