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Structure of hita bound to gallium from pseudomonas aeruginosa

Analyse Structure of hita bound to gallium from pseudomonas aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6J2S
Type: protein
Length: 614 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ferric iron-binding periplasmic protein
UniProt: A0A072ZDH2
Ligands: GA, PO4
Pockets: 8 · best druggability 0.71

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ferric iron-binding periplasmic protein	protein	307	46% helix, 17% strand	A0A072ZDH2

Ligands and binding sites

GA · Gallium (III) ion · metal · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Pockets

8 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	797	0.71	0.77	87	PO4
2	220	0.49	0.75	38	PO4
3	77	0.38	0.77	15	empty
4	69	0.36	0.77	14	empty
5	66	0.33	0.76	18	empty

Interfaces

1 interface between chains.

A–B · 456 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

6J2S · Structure of HitA bound to gallium from Pseudomonas aeruginosa · 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 A0A072ZDH2
Elsewhere: RCSB PDB 6J2S · PDBe 6J2S · UniProt A0A072ZDH2

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