MolNFT v1 · #160467 · protein

Adducts formed after 1 month in the reaction of DICHLORIDO(1,3- dimethylbenzimidazol-2-YLIDENE)(ETA6-P-CYMENE)OSMIUM(II) with hewl

6PLA · Lysozyme: “Adducts formed after 1 month in the reaction of DICHLORIDO(1,3…”. X-ray diffraction, 3 ligands (O1N, NA, OS), 1 pocket (best druggability 0.38). MolNFT v1 #160467 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6PLA
Type: protein
Length: 129 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lysozyme
EC: 3.2.1.17
UniProt: B8YK79
Ligands: O1N, NA, OS
Pockets: 1 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lysozyme (EC 3.2.1.17)	protein	129	41% helix, 11% strand	B8YK79

Ligands and binding sites

O1N · dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(II) · ligand · 2 copies · chains A
NA · Sodium ion · metal · chains A
OS · Osmium ion · metal · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	79	0.38	0.77	18	empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6PLA · Adducts formed after 1 month in the reaction of… · 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 B8YK79
Elsewhere: RCSB PDB 6PLA · PDBe 6PLA · UniProt B8YK79

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