MolNFT v1 · #156944 · protein

Azurin 122W/124W/126RE

6MJS: “Azurin 122W/124W/126RE”. X-ray diffraction, 2 ligands (REQ, CU), 2 pockets (best druggability 0.81). MolNFT v1 #156944 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6MJS
Type: protein
Length: 505 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Azurin
UniProt: P00282
Ligands: REQ, CU
Pockets: 2 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Azurin	protein	128	19% helix, 34% strand	P00282
B, D	Azurin	protein	126	20% helix, 34% strand	P00282
C	Azurin	protein	125	19% helix, 33% strand	P00282

Ligands and binding sites

REQ · (1,10 phenanthroline)-(tri-carbon monoxide) rhenium (I) · ligand · 4 copies · chains A, D, B, C
CU · Copper (II) 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	1149	0.81	0.82	121	REQ
2	122	0.45	0.78	25	REQ

Interfaces

6 interfaces between chains.

A–D · 458 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 436 Å² buried · 0 hydrogen bonds · protein-protein
B–C · 322 Å² buried · 1 hydrogen bond · protein-protein
C–D · 208 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 150 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

6MJS · Azurin 122W/124W/126Re · 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 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 6MJS · PDBe 6MJS · UniProt P00282

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