MolNFT v1 · #162626 · protein

Crystal structure of 3FPIZZA6-sh with ZN2+

6REN: “Crystal structure of 3FPIZZA6-sh with ZN2+”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.72). MolNFT v1 #162626 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6REN
Type: protein
Length: 499 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3FPIZZA6-sh
Ligands: ZN
Pockets: 4 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3FPIZZA6-sh	protein	251	6% helix, 43% strand	—
B	3FPIZZA6-sh	protein	248	6% helix, 43% strand	—

Ligands and binding sites

ZN · Zinc ion · metal · 8 copies · chains A, B
IPA · Isopropyl alcohol · additive · 13 copies · chains A, B
GOL · Glycerol · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	399	0.72	0.83	42	empty
2	382	0.71	0.83	42	empty
3	181	0.49	0.77	39	IPA
4	69	0.32	0.75	17	empty

Interfaces

1 interface between chains.

A–B · 352 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

6REN · Crystal structure of 3fPizza6-SH with Zn2+ · 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 6REN · PDBe 6REN

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