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Arginase-dinor-noha complex

Analyse Arginase-dinor-noha complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1T4T
Type
protein
Length
942 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Arginase 1
EC
3.5.3.1
UniProt
P07824
Ligands
DIR, MN
Pockets
10 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CArginase 1 (EC 3.5.3.1)protein31441% helix, 17% strandP07824

Ligands and binding sites

  • DIR · 3-{[(E)-amino(hydroxyimino)methyl]amino}alanine · ligand · 3 copies · chains A, B, C
  • MN · Manganese (II) ion · metal · 6 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17630.810.8464empty
23410.580.7635empty
31180.520.8122empty
41000.450.8023DIR
5800.440.8119DIR

Interfaces

3 interfaces between chains.

  • B–C · 958 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 949 Ų buried · 16 hydrogen bonds · protein-protein
  • A–C · 925 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 1T4T · arginase-dinor-NOHA complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P07824 · AlphaFold monomer V2.0 prediction for arginase-1 (P07824) · a predicted model of the same protein · chain B against A, TM-score 1.00

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