MolNFT v1 · #11868 · protein

Pseudomonas aeruginosa azurin RE(PHEN)(CO)3(HIS83)

1JZI: “Pseudomonas aeruginosa azurin RE(PHEN)(CO)3(HIS83)”. X-ray diffraction, 3 ligands (REP, IME, CU), 3 pockets (best druggability 0.46). MolNFT v1 #11868 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1JZI
Type: protein
Length: 256 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Azurin
UniProt: P00282
Ligands: REP, IME, CU
Pockets: 3 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 18% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Azurin	protein	128	18% helix, 34% strand	P00282

Ligands and binding sites

REP · (1,10 phenanthroline)-(tri-carbon monoxide) rhenium (I) · ligand · 2 copies · chains A, B
IME · Tetra(imidazole)diaquacopper (II) · ligand · chains A
CU · Copper (II) ion · metal · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	74	0.46	0.82	20	empty
2	85	0.41	0.78	19	empty
3	81	0.37	0.77	16	empty

Interfaces

1 interface between chains.

A–B · 364 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1JZI · Pseudomonas aeruginosa Azurin Re(phen)(CO)3(His83) · the same entry in another collection · chain A against A, TM-score 1.00
P00282 · AlphaFold monomer V2.0 prediction for azurin (P00282) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 1JZI · PDBe 1JZI · UniProt P00282

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