MolNFT v1 · #162624 · protein

Crystal structure of PIZZA6-sh with CDCL2 nanocrystal

6REL: “Crystal structure of PIZZA6-sh with CDCL2 nanocrystal”. X-ray diffraction, 2 ligands (CD, CL), 3 pockets (best druggability 0.80). MolNFT v1 #162624 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6REL
Type: protein
Length: 502 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PIZZA6-sh
Ligands: CD, CL
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	PIZZA6-sh	protein	251	4% helix, 39% strand	—

Ligands and binding sites

CD · Cadmium ion · metal · 11 copies · chains A, B
CL · Chloride ion · ion · 12 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	126	0.80	0.98	26	CD, CL
2	373	0.71	0.83	42	CD
3	384	0.71	0.83	42	CD

Interfaces

1 interface between chains.

A–B · 1284 Å² buried · 49 hydrogen bonds · protein-protein

Compared structures

6REL · Crystal structure of Pizza6-SH with CdCl2 nanocrystal · 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
Elsewhere: RCSB PDB 6REL · PDBe 6REL

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