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Crystal structure of bordetella pertussis holo ferric binding protein bound with two synergistic oxalate anions

Analyse Crystal structure of bordetella pertussis holo ferric binding protein bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2OWS
Type: protein
Length: 314 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative iron binding protein
UniProt: Q7VXW9
Ligands: OXL, FE
Pockets: 1 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative iron binding protein	protein	314	47% helix, 19% strand	Q7VXW9

Ligands and binding sites

OXL · Oxalate ion · ligand · 2 copies · chains A
FE · Fe (III) ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	117	0.38	0.74	25	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

2OWS · Crystal structure of Bordetella pertussis holo ferric binding protein bound with two… · 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 Q7VXW9
Elsewhere: RCSB PDB 2OWS · PDBe 2OWS · UniProt Q7VXW9

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