MolNFT v1 · #90518 · protein

Ferric binding protein with iron and carbonate

4ELR · Iron ABC transporter, periplasmic iron-binding protein: “Ferric binding protein with iron and carbonate”. X-ray diffraction, 2 ligands (FE, CO3), 4 pockets (best druggability 0.43). MolNFT v1 #90518 on GenesisL1: 3D structure…

PDB: 4ELR
Type: protein
Length: 620 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Iron ABC transporter, periplasmic iron-binding protein
UniProt: Q5SHV2
Ligands: FE, CO3
Pockets: 4 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Iron ABC transporter, periplasmic iron-binding protein	protein	310	47% helix, 17% strand	Q5SHV2

Ligands and binding sites

FE · Fe (III) ion · metal · 2 copies · chains A, B
CO3 · Carbonate ion · ion · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	126	0.43	0.77	23	empty
2	115	0.41	0.76	21	CO3
3	101	0.39	0.76	24	CO3
4	67	0.33	0.76	18	empty

Interfaces

1 interface between chains.

A–B · 247 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

4ELR · Ferric binding protein with iron and carbonate · 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 Q5SHV2
Elsewhere: RCSB PDB 4ELR · PDBe 4ELR · UniProt Q5SHV2

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