MolNFT v1 · #64417 · protein

Crystal structure of the glycopeptide N-methyltransferase mtfa complexed with (S)-adenosyl-L-methionine (SAM)

3G2O · PCZA361.24: “Crystal structure of the glycopeptide N-methyltransferase mtfa complexed with (S)-adenosyl-L-methionine (SAM)”. X-ray diffraction, 1 ligand (SAM), 6 pockets (best druggability 0.72). MolNFT v1 #64417 on GenesisL1: 3D…

PDB: 3G2O
Type: protein
Length: 472 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PCZA361.24
UniProt: O52805
Ligands: SAM
Pockets: 6 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	PCZA361.24	protein	244	30% helix, 34% strand	O52805
B	PCZA361.24	protein	228	27% helix, 35% strand	O52805

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

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	763	0.72	0.78	104	SAM
2	204	0.56	0.80	28	empty
3	93	0.37	0.76	15	empty
4	69	0.37	0.77	21	empty
5	76	0.36	0.76	19	empty

Interfaces

1 interface between chains.

A–B · 1623 Å² buried · 34 hydrogen bonds · protein-protein

Compared structures

3G2O · Crystal Structure of the Glycopeptide N-methyltransferase MtfA complexed with… · the same entry in another collection · chain B against B, 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 O52805
Elsewhere: RCSB PDB 3G2O · PDBe 3G2O · UniProt O52805

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