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Crystal structure of iron uptake ABC transporter substrate-binding protein piua from streptococcus pneumoniae canada MDR_19A

Analyse Crystal structure of iron uptake ABC transporter substrate-binding protein piua… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4JCC
Type: protein
Length: 284 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Iron-compound ABC transporter, iron-compound-binding protein
UniProt: H8LJX2
Ligands: SO4, CL
Pockets: 2 · best druggability 0.76

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Iron-compound ABC transporter, iron-compound-binding protein	protein	284	46% helix, 17% strand	H8LJX2

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A
CL · Chloride ion · ion · chains A
IPA · Isopropyl alcohol · additive · chains A

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

Pockets

2 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	390	0.76	0.85	35	empty
2	55	0.29	0.74	11	empty

Compared structures

4JCC · Crystal structure of iron uptake ABC transporter substrate-binding protein PiuA from… · 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 H8LJX2
Elsewhere: RCSB PDB 4JCC · PDBe 4JCC · UniProt H8LJX2

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