MolNFT v1 · #168801 · protein

The interaction of CHLORIDO(1,5-CYCLOOCTADIENE)([4-(2-((tert- BUTOXYCARBONYL)AMINO)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H- imidazol-3-IDE])RHODIUM(I) with hewl after 1 week

6WRL · Lysozyme: “The interaction of CHLORIDO(1,5-CYCLOOCTADIENE)([4-(2-((tert…”. X-ray diffraction, 2 ligands (NA, RH), 1 pocket (best druggability 0.33). MolNFT v1 #168801 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6WRL
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: NA, RH
Pockets: 1 · best druggability 0.33

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lysozyme (EC 3.2.1.17)	protein	129	41% helix, 12% strand	B8YK79

Ligands and binding sites

NA · Sodium ion · metal · chains A
RH · Rhodium · metal · chains A
ACT · Acetate ion · additive · 3 copies · 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	63	0.33	0.76	16	empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6WRL · The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-metho… · 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 6WRL · PDBe 6WRL · UniProt B8YK79

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