MolNFT v1 · #86795 · protein

Crystal structure of mycobacterium tuberculosis O6- methylguanine methyltransferase

4BHB · Methylated-DNA--protein-cysteine methyltransferase: “Crystal structure of mycobacterium tuberculosis O6- methylguanine methyltransferase”. X-ray diffraction, 3 pockets (best druggability 0.64). MolNFT v1 #86795 on GenesisL1: 3D…

PDB: 4BHB
Type: protein
Length: 165 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methylated-DNA--protein-cysteine methyltransferase
EC: 2.1.1.63
UniProt: P0A696
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Methylated-DNA--protein-cysteine methyltransferase (EC 2.1.1.63)	protein	165	38% helix, 14% strand	P0A696

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

3 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	222	0.64	0.83	28	GOL
2	60	0.31	0.76	17	empty
3	51	0.29	0.75	16	GOL

Compared structures

4BHB · Crystal structure of Mycobacterium tuberculosis O6-METHYLGUANINE METHYLTRANSFERASE · 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 P0A696
Elsewhere: RCSB PDB 4BHB · PDBe 4BHB · UniProt P0A696

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