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Structure of a cavity mutant (H117G) of pseudomonas aeruginosa azurin

Analyse Structure of a cavity mutant (H117G) of pseudomonas aeruginosa azurin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2IWE
Type: protein
Length: 512 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Azurin
UniProt: P00282
Ligands: 2IH, ZN
Pockets: 4 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D, G, J	Azurin	protein	128	17% helix, 34% strand	P00282

Ligands and binding sites

2IH · 1,1'-hexane-1,6-diylbis(1h-imidazole) · ligand · 2 copies · chains A, J, D, G
ZN · Zinc ion · metal · 4 copies · chains A, D, G, J

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	160	0.71	0.90	33	2IH
2	97	0.69	0.92	28	2IH
3	270	0.51	0.74	36	empty
4	64	0.29	0.74	14	empty

Interfaces

3 interfaces between chains.

D–G · 520 Å² buried · 2 hydrogen bonds · protein-protein
A–J · 480 Å² buried · 2 hydrogen bonds · protein-protein
A–D · 131 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

2IWE · Structure of a cavity mutant (H117G) of Pseudomonas aeruginosa azurin · the same entry in another collection · chain J against J, TM-score 1.00
P00282 · AlphaFold monomer V2.0 prediction for azurin (P00282) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 P00282
Elsewhere: RCSB PDB 2IWE · PDBe 2IWE · UniProt P00282

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