MolNFT v1 · #58380 · protein

Crystal structure of an S. thermophilus nfeob E67A mutant bound to mgmppnp

3B1V · Ferrous iron uptake transporter protein B: “Crystal structure of an S. thermophilus nfeob E67A mutant bound to mgmppnp”. X-ray diffraction, 3 ligands (GGM, MG, CL), 3 pockets (best druggability 0.56). MolNFT v1 #58380 on GenesisL1…

PDB: 3B1V
Type: protein
Length: 264 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ferrous iron uptake transporter protein B
UniProt: Q5M586
Ligands: GGM, MG, CL
Pockets: 3 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ferrous iron uptake transporter protein B	protein	264	50% helix, 13% strand	Q5M586

Ligands and binding sites

GGM · 3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate · ligand · chains A
MG · Magnesium ion · metal · chains A
CL · Chloride ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	94	0.56	0.86	26	GGM, MG
2	75	0.41	0.80	19	empty
3	53	0.32	0.77	14	empty

Compared structures

3B1V · Crystal structure of an S. thermophilus NFeoB E67A mutant bound to mGMPPNP · 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 3B1V · PDBe 3B1V · UniProt Q5M586

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