Research workbench

Crystal structure of MAB_4324 a tandem repeat gnat from mycobacterium abscessus

Analyse Crystal structure of MAB_4324 a tandem repeat gnat from mycobacterium abscessus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7Q3A
Type: protein
Length: 679 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative acetyltransferase, gnat
UniProt: B1MJN9
Ligands: COA, ACO, NDP, NAI, SO4
Pockets: 5 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative acetyltransferase, gnat	protein	339	36% helix, 29% strand	B1MJN9
B	Putative acetyltransferase, gnat	protein	340	36% helix, 29% strand	B1MJN9

Ligands and binding sites

COA · Coenzyme A · ligand · 2 copies · chains A, B
ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · chains B
SO4 · Sulfate ion · ion · 2 copies · chains A, B
ACT · Acetate ion · additive · 2 copies · chains A, B
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains B

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	963	0.83	0.84	115	NAI, COA, ACO, ACT
2	924	0.83	0.84	123	NDP, COA, ACO, ACT
3	364	0.65	0.79	42	empty
4	497	0.65	0.77	80	empty
5	78	0.35	0.76	14	empty

Interfaces

1 interface between chains.

A–B · 756 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

7Q3A · Crystal structure of MAB_4324 a tandem repeat GNAT from Mycobacterium abscessus · 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 B1MJN9
Elsewhere: RCSB PDB 7Q3A · PDBe 7Q3A · UniProt B1MJN9

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.