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MolNFT v1 · #126667 · protein

Human angiogenin als variant F100I

5M9R: “Human angiogenin als variant F100I”. X-ray diffraction, 1 pocket (best druggability 0.68). MolNFT v1 #126667 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5M9R
Type
protein
Length
243 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Angiogenin
EC
3.1.27.-
UniProt
P03950
Pockets
1 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAngiogenin (EC 3.1.27.-)protein12227% helix, 34% strandP03950
BAngiogenin (EC 3.1.27.-)protein12126% helix, 35% strandP03950

Ligands and binding sites

  • TAR · D(-)-tartaric acid · additive · 2 copies · chains A, B
  • TLA · L(+)-tartaric acid · additive · 2 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · 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
13170.680.8345TAR, TLA

Interfaces

1 interface between chains.

  • A–B · 662 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 5M9R · Human angiogenin ALS variant F100I · the same entry in another collection · chain A against A, TM-score 1.00
  • P03950 · AlphaFold monomer V2.0 prediction for angiogenin (P03950) · a predicted model of the same protein · chain A against A, TM-score 0.98

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