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MolNFT v1 · #22642 · protein

H141D mutant of rat liver arginase I

1TBH · Arginase 1: “H141D mutant of rat liver arginase I”. X-ray diffraction, 1 ligand (MN), 10 pockets (best druggability 0.80). MolNFT v1 #22642 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1TBH
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
MN
Pockets
10 · best druggability 0.80

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

  • 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
111740.800.8298empty
22120.540.7830empty
31380.530.8123empty
41290.500.7924empty
51300.490.8022empty

Interfaces

3 interfaces between chains.

  • A–C · 1004 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 1001 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 942 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 1TBH · H141D mutant of rat liver arginase I · 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 C against A, TM-score 1.00

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