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Pseudomonas aeruginosa W48F/Y72F/H83Q/Y108W-azurin RE(PHEN)(CO) 3(HIS107)

Analyse Pseudomonas aeruginosa W48F/Y72F/H83Q/Y108W-azurin RE(PHEN)(CO) 3(HIS107) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1R1C
Type: protein
Length: 512 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Azurin
UniProt: P00282
Ligands: REP, CU1
Pockets: 2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Azurin	protein	128	19% helix, 34% strand	P00282

Ligands and binding sites

REP · (1,10 phenanthroline)-(tri-carbon monoxide) rhenium (I) · ligand · 4 copies · chains A, B, C, D
CU1 · Copper (I) ion · metal · 4 copies · chains A, B, C, D

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	854	0.73	0.78	82	empty
2	223	0.44	0.72	28	empty

Interfaces

4 interfaces between chains.

B–C · 218 Å² buried · 4 hydrogen bonds · protein-protein
B–D · 197 Å² buried · 3 hydrogen bonds · protein-protein
C–D · 101 Å² buried · 1 hydrogen bond · protein-protein
A–B · 11 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1R1C · Pseudomonas aeruginosa W48F/Y72F/H83Q/Y108W-azurin RE(PHEN)(CO)3(HIS107) · the same entry in another collection · chain D against D, 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 0.98

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 1R1C · PDBe 1R1C · UniProt P00282

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