MolNFT v1 · #152071 · protein

Papaver somniferum O-methyltransferase 1

6I6L: “Papaver somniferum O-methyltransferase 1”. X-ray diffraction, 2 ligands (H68, SAH), 5 pockets (best druggability 0.84). MolNFT v1 #152071 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6I6L
Type: protein
Length: 695 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: O-methyltransferase 1
UniProt: I3PLQ5
Ligands: H68, SAH
Pockets: 5 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	O-methyltransferase 1	protein	342	49% helix, 15% strand	I3PLQ5
B	O-methyltransferase 1	protein	353	48% helix, 15% strand	I3PLQ5

Ligands and binding sites

H68 · Tetrahydrocolumbamine · ligand · 2 copies · chains A, B
SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	353	0.84	0.93	53	H68, SAH
2	370	0.84	0.92	56	H68, SAH
3	292	0.60	0.79	34	empty
4	204	0.51	0.77	27	empty
5	259	0.50	0.74	36	empty

Interfaces

1 interface between chains.

A–B · 4088 Å² buried · 28 hydrogen bonds · protein-protein

Compared structures

6I6L · Papaver somniferum O-methyltransferase 1 · 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 I3PLQ5
Elsewhere: RCSB PDB 6I6L · PDBe 6I6L · UniProt I3PLQ5

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