MolNFT v1 · #79245 · protein

Crystal structure of complex of BT_2972 and adomet, a methyltransferase from bacteroides thetaiotaomicron

3SXJ · Putative methyltransferase: “Crystal structure of complex of BT_2972 and adomet, a methyltransferase from bacteroides thetaiotaomicron”. X-ray diffraction, 1 ligand (SAM), 4 pockets (best druggability 0.73). MolNFT v1 #79245 on…

PDB: 3SXJ
Type: protein
Length: 490 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative methyltransferase
UniProt: Q8A3I2
Ligands: SAM
Pockets: 4 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative methyltransferase	protein	245	43% helix, 24% strand	Q8A3I2

Ligands and binding sites

SAM · S-adenosylmethionine · ligand · 2 copies · chains A, B

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

Pockets

4 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	525	0.73	0.81	44	SAM
2	486	0.72	0.81	48	SAM
3	190	0.52	0.78	27	empty
4	186	0.52	0.78	28	empty

Interfaces

1 interface between chains.

A–B · 996 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

3SXJ · Crystal structure of complex of BT_2972 and AdoMet, a methyltransferase from Bacteroides… · 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 Q8A3I2
Elsewhere: RCSB PDB 3SXJ · PDBe 3SXJ · UniProt Q8A3I2

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