MolNFT v1 · #95568 · protein

Crystal structure of leishmania mexicana arginase in complex with inhibitor abh

4IU0: “Crystal structure of leishmania mexicana arginase in complex with inhibitor abh”. X-ray diffraction, 2 ligands (ABH, MN), 1 pocket (best druggability 0.43). MolNFT v1 #95568 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4IU0
Type: protein
Length: 310 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Arginase
EC: 3.5.3.1
UniProt: Q6TUJ5
Ligands: ABH, MN
Pockets: 1 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Arginase (EC 3.5.3.1)	protein	310	46% helix, 16% strand	Q6TUJ5

Ligands and binding sites

ABH · 2(S)-amino-6-boronohexanoic acid · ligand · chains A
MN · Manganese (II) ion · metal · 2 copies · chains A
GOL · Glycerol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	80	0.43	0.81	18	ABH

Compared structures

4IU0 · Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABH · the same entry in another collection · 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 Q6TUJ5
Elsewhere: RCSB PDB 4IU0 · PDBe 4IU0 · UniProt Q6TUJ5

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