MolNFT v1 · #7843 · protein

A TRICHOSANTHIN(TCS) MUTANT(E85R) complex structure with adenine

1GIU · Ribosome-inactivating protein alpha-trichosanthin: “A TRICHOSANTHIN(TCS) MUTANT(E85R) complex structure with adenine”. X-ray diffraction, 1 ligand (ADE), 2 pockets (best druggability 0.55). MolNFT v1 #7843 on GenesisL1: 3D…

PDB: 1GIU
Type: protein
Length: 247 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ribosome-inactivating protein alpha-trichosanthin
EC: 3.2.2.22
UniProt: P09989
Ligands: ADE
Pockets: 2 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ribosome-inactivating protein alpha-trichosanthin (EC 3.2.2.22)	protein	247	42% helix, 25% strand	P09989

Ligands and binding sites

ADE · Adenine · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	140	0.55	0.82	22	ADE
2	71	0.33	0.75	14	empty

Compared structures

1GIU · A TRICHOSANTHIN(TCS) MUTANT(E85R) complex structure with adenine · the same entry in another collection · chain A against A, TM-score 1.00
P09989 · AlphaFold monomer V2.0 prediction for ribosome-inactivating protein alpha-trichosanthin… · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P09989
Elsewhere: RCSB PDB 1GIU · PDBe 1GIU · UniProt P09989

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