MolNFT v1 · #90517 · protein

Ferric binding protein with carbonate

4ELQ · Iron ABC transporter, periplasmic iron-binding protein: “Ferric binding protein with carbonate”. X-ray diffraction, 1 ligand (CO3), 6 pockets (best druggability 0.61). MolNFT v1 #90517 on GenesisL1: 3D structure, binding sites and…

PDB: 4ELQ
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: CO3
Pockets: 6 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Iron ABC transporter, periplasmic iron-binding protein	protein	310	46% helix, 17% strand	Q5SHV2

Ligands and binding sites

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

6 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	369	0.61	0.77	49	CO3
2	368	0.61	0.77	51	CO3
3	73	0.39	0.78	17	empty
4	83	0.38	0.76	21	empty
5	87	0.35	0.74	20	empty

Interfaces

1 interface between chains.

A–B · 1034 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

4ELQ · Ferric binding protein with 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 4ELQ · PDBe 4ELQ · UniProt Q5SHV2

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