MolNFT v2 · #145639 · protein

Mycobacterium smegmatis RimJ (apo form)

6C30 · GNAT family acetyltransferase: “Mycobacterium smegmatis RimJ (apo form)”. X-ray diffraction at 1.397, 1 ligand (CL), 1 pocket (best druggability 0.84). MolNFT v2 #145639 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6C30
Type: protein
Length: 426 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.397
Source: Mycobacterium smegmatis
Molecule: GNAT family acetyltransferase
EC: 2.3.1.-
UniProt: A0A0D6IYM9
Ligands: CL
Pockets: 1 · best druggability 0.84

Structure

x-ray diffraction · resolution 1.397 · 1 distinct chain · 39% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	GNAT family acetyltransferase (EC 2.3.1.-)	protein	213	39% helix, 31% strand	A0A0D6IYM9

Ligands and binding sites

CL · Chloride ion · ion · 3 copies · chains A
GOL · Glycerol · additive · 6 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1013	0.84	0.85	120	CL, GOL

Interfaces

1 interface between chains.

A–B · 1070 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

6C30 · Mycobacterium smegmatis rimj (apo form) · 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 A0A0D6IYM9
Elsewhere: RCSB PDB 6C30 · PDBe 6C30 · UniProt A0A0D6IYM9

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