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Crystal structure of N-succinylarginine dihydrolase, astb, bound to substrate and product, an enzyme from the arginine catabolic pathway of escherichia COLI

Analyse Crystal structure of N-succinylarginine dihydrolase, astb, bound to substrate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1YNF
Type
protein
Length
2,574 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Succinylarginine dihydrolase
EC
3.-.-.-
UniProt
P76216
Ligands
K
Pockets
20 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FSuccinylarginine dihydrolase (EC 3.-.-.-)protein42941% helix, 20% strandP76216

Ligands and binding sites

  • K · Potassium ion · metal · 6 copies · chains A, B, C, D, E, F

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

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1850.750.9835empty
2850.750.9833empty
3690.740.9826empty
4680.730.9825empty
5550.730.9916empty

Interfaces

7 interfaces between chains.

  • A–F · 932 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 916 Ų buried · 8 hydrogen bonds · protein-protein
  • C–E · 915 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 569 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 441 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 54 modified (engineered).

Compared structures

  • 1YNF · Crystal Structure of N-Succinylarginine Dihydrolase, AstB, bound to Substrate and… · the same entry in another collection · chain F against F, TM-score 1.00
  • P76216 · AlphaFold monomer V2.0 prediction for N-succinylarginine dihydrolase (P76216) · a predicted model of the same protein · chain B against A, TM-score 1.00

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