MolNFT v1 · #63697 · protein

Crystal structure of the HEME/HEMOGLOBIN outer membrane transporter shua from shigella dysenteriae

3FHH · Outer membrane heme receptor shua: “Crystal structure of the HEME/HEMOGLOBIN outer membrane transporter shua from shigella dysenteriae”. X-ray diffraction, 1 ligand (PB), 5 pockets (best druggability 0.86). MolNFT v1 #63697 on…

PDB: 3FHH
Type: protein
Length: 621 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Outer membrane heme receptor shua
UniProt: P72412
Ligands: PB
Pockets: 5 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 57% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Outer membrane heme receptor shua	protein	621	4% helix, 57% strand	P72412

Ligands and binding sites

PB · Lead (II) ion · metal · 4 copies · chains A
BOG · octyl beta-D-glucopyranoside · additive · chains A

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1120	0.86	0.88	141	PB
2	200	0.82	0.96	32	empty
3	552	0.72	0.80	44	empty
4	532	0.67	0.78	53	empty
5	63	0.28	0.74	17	empty

Compared structures

3FHH · Crystal structure of the heme/hemoglobin outer membrane transporter ShuA from Shigella… · 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 P72412
Elsewhere: RCSB PDB 3FHH · PDBe 3FHH · UniProt P72412

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