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Crystal structure of psof

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

PDB: 6KJG
Type: protein
Length: 1,045 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
Pockets: 11 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 51% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dual-functional MONOOXYGENASE/METHYLTRANSFERASE psof (EC 1.-.-.-, 2.1.1.-)	protein	348	51% helix, 15% strand	Q4WAZ0
B	Dual-functional MONOOXYGENASE/METHYLTRANSFERASE psof (EC 1.-.-.-, 2.1.1.-)	protein	349	51% helix, 15% strand	Q4WAZ0
C	Dual-functional MONOOXYGENASE/METHYLTRANSFERASE psof (EC 1.-.-.-, 2.1.1.-)	protein	348	52% helix, 15% strand	Q4WAZ0

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	458	0.73	0.82	53	empty
2	434	0.73	0.83	54	empty
3	444	0.72	0.82	52	empty
4	384	0.64	0.79	54	empty
5	281	0.61	0.79	41	empty

Interfaces

3 interfaces between chains.

B–C · 567 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 538 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 531 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

6KJG · Crystal structure of PsoF · 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 A against A, TM-score 0.98

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 6KJG · PDBe 6KJG · UniProt Q4WAZ0

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