MolNFT v1 · #23269 · protein

Crystal structure of the sulfite mtmb complex

1TV4 · Monomethylamine methyltransferase MTMB1: “Crystal structure of the sulfite mtmb complex”. X-ray diffraction, 2 ligands (BG3, SO4), 2 pockets (best druggability 0.52). MolNFT v1 #23269 on GenesisL1: 3D structure, binding sites and…

PDB: 1TV4
Type: protein
Length: 457 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Monomethylamine methyltransferase MTMB1
EC: 2.1.1.-
UniProt: O30642
Ligands: BG3, SO4
Pockets: 2 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Monomethylamine methyltransferase MTMB1 (EC 2.1.1.-)	protein	457	45% helix, 14% strand	O30642

Ligands and binding sites

BG3 · 3-methyl-5-sulfo-pyrrolidine-2-carboxylic acid · ligand · chains A
SO4 · Sulfate ion · ion · 10 copies · 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	221	0.52	0.76	29	BG3
2	56	0.28	0.75	15	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

1TV4 · Crystal structure of the sulfite MtmB complex · 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 O30642
Elsewhere: RCSB PDB 1TV4 · PDBe 1TV4 · UniProt O30642

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