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Crystal structure of an S. thermophilus nfeob E66A mutant bound to gmppnp

Analyse Crystal structure of an S. thermophilus nfeob E66A mutant bound to gmppnp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3B1X
Type: protein
Length: 516 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ferrous iron uptake transporter protein B
UniProt: Q5M586
Ligands: GNP, MG
Pockets: 3 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ferrous iron uptake transporter protein B	protein	259	50% helix, 13% strand	Q5M586
B	Ferrous iron uptake transporter protein B	protein	257	50% helix, 14% strand	Q5M586

Ligands and binding sites

GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	98	0.56	0.85	27	GNP, MG
2	114	0.54	0.83	32	GNP, MG
3	51	0.23	0.71	12	empty

Compared structures

3B1X · Crystal structure of an S. thermophilus NFeoB E66A mutant bound to GMPPNP · 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 Q5M586
Elsewhere: RCSB PDB 3B1X · PDBe 3B1X · UniProt Q5M586

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