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Crystal structure of di-iron aurf (monoclinic form)

Analyse Crystal structure of di-iron aurf (monoclinic form) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3CHI
Type: protein
Length: 602 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: P-aminobenzoate N-oxygenase
UniProt: Q70KH9
Ligands: FEO
Pockets: 6 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	P-aminobenzoate N-oxygenase	protein	301	69% helix, 1% strand	Q70KH9

Ligands and binding sites

FEO · Mu-oxo-diiron · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	759	0.79	0.83	83	empty
2	646	0.79	0.84	70	empty
3	229	0.59	0.80	24	empty
4	93	0.39	0.76	20	empty
5	94	0.38	0.76	19	empty

Interfaces

1 interface between chains.

A–B · 1110 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3CHI · Crystal Structure of Di-iron AurF (Monoclinic form) · 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 Q70KH9
Elsewhere: RCSB PDB 3CHI · PDBe 3CHI · UniProt Q70KH9

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