MolNFT v1 · #67767 · protein

M. tuberculosis methionine aminopeptidase with mn inhibitor A02

3IU7: “M. tuberculosis methionine aminopeptidase with mn inhibitor A02”. X-ray diffraction, 4 ligands (FCD, MN, SO4), 2 pockets (best druggability 0.58). MolNFT v1 #67767 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3IU7
Type: protein
Length: 284 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methionine aminopeptidase
EC: 3.4.11.18
UniProt: P0A5J2
Ligands: FCD, MN, SO4, CL
Pockets: 2 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Methionine aminopeptidase (EC 3.4.11.18)	protein	284	26% helix, 24% strand	P0A5J2

Ligands and binding sites

FCD · 5-(2-chlorophenyl)furan-2-carboxylic acid · ligand · 2 copies · chains A
MN · Manganese (II) ion · metal · 2 copies · chains A
SO4 · Sulfate ion · ion · chains A
CL · Chloride ion · ion · 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	184	0.58	0.81	30	FCD
2	82	0.34	0.75	16	FCD

Compared structures

3IU7 · M. tuberculosis methionine aminopeptidase with Mn inhibitor A02 · 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 P0A5J2
Elsewhere: RCSB PDB 3IU7 · PDBe 3IU7 · UniProt P0A5J2

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