MolNFT v1 · #67768 · protein

M. tuberculosis methionine aminopeptidase with ni inhibitor T03

3IU8: “M. tuberculosis methionine aminopeptidase with ni inhibitor T03”. X-ray diffraction, 4 ligands (T03, NI, CL), 2 pockets (best druggability 0.62). MolNFT v1 #67768 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3IU8
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: T03, NI, CL, SO4
Pockets: 2 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Methionine aminopeptidase (EC 3.4.11.18)	protein	284	25% helix, 24% strand	P0A5J2

Ligands and binding sites

T03 · 3-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole · ligand · chains A
NI · Nickel (II) ion · metal · 3 copies · chains A
CL · Chloride ion · ion · 2 copies · chains A
SO4 · Sulfate 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	203	0.62	0.83	32	NI, T03, CL
2	75	0.34	0.75	16	empty

Compared structures

3IU8 · M. tuberculosis methionine aminopeptidase with Ni inhibitor T03 · 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 3IU8 · PDBe 3IU8 · UniProt P0A5J2

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