Research workbench

Crystal structure of psof with sah

Analyse Crystal structure of psof with sah in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6KJI
Type: protein
Length: 1,049 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dual-functional MONOOXYGENASE/METHYLTRANSFERASE psof
EC: 1.-.-.-, 2.1.1.-
UniProt: Q4WAZ0
Ligands: SAH, SO4
Pockets: 13 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 52% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dual-functional MONOOXYGENASE/METHYLTRANSFERASE psof (EC 1.-.-.-, 2.1.1.-)	protein	351	51% helix, 15% strand	Q4WAZ0
B	Dual-functional MONOOXYGENASE/METHYLTRANSFERASE psof (EC 1.-.-.-, 2.1.1.-)	protein	348	52% helix, 15% strand	Q4WAZ0
C	Dual-functional MONOOXYGENASE/METHYLTRANSFERASE psof (EC 1.-.-.-, 2.1.1.-)	protein	350	53% helix, 15% strand	Q4WAZ0

Ligands and binding sites

SAH · S-adenosyl-L-homocysteine · ligand · 3 copies · chains A, B, C
SO4 · Sulfate ion · ion · 6 copies · chains A, B, C

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

Pockets

13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	418	0.73	0.83	44	SAH
2	466	0.73	0.82	35	SAH
3	432	0.71	0.81	53	SAH
4	58	0.67	0.95	16	empty
5	414	0.65	0.78	64	empty

Interfaces

3 interfaces between chains.

B–C · 574 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 572 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 562 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

6KJI · Crystal structure of PsoF with SAH · the same entry in another collection · chain A against A, TM-score 1.00
Q4WAZ0 · AlphaFold monomer V2.0 prediction for dual-functional MONOOXYGENASE/METHYLTRANSFERASE… · a predicted model of the same protein · chain C against A, TM-score 0.99

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 Q4WAZ0
Elsewhere: RCSB PDB 6KJI · PDBe 6KJI · UniProt Q4WAZ0

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.