MolNFT v1 · #142006 · protein

SIDE-UBI

5ZQ5: “SIDE-UBI”. X-ray diffraction, 18 pockets (best druggability 0.77). MolNFT v1 #142006 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5ZQ5
Type: protein
Length: 1,804 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Side; Ubiquitin
UniProt: Q6RCR1, P0CG48
Pockets: 18 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 52% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Side	protein	828	53% helix, 10% strand	Q6RCR1
B, D	Ubiquitin	protein	76	20% helix, 34% strand	P0CG48
C	Side	protein	824	53% helix, 10% strand	Q6RCR1

Pockets

18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	872	0.77	0.80	80	empty
2	947	0.76	0.79	84	empty
3	310	0.74	0.86	51	empty
4	290	0.70	0.84	35	empty
5	390	0.63	0.78	52	empty

Interfaces

3 interfaces between chains.

A–C · 2748 Å² buried · 25 hydrogen bonds · protein-protein
D–C · 992 Å² buried · 13 hydrogen bonds · protein-protein
A–B · 967 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 modified (engineered).

Compared structures

5ZQ5 · SidE-Ubi · 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 Q6RCR1
Every structure of UniProt P0CG48
Elsewhere: RCSB PDB 5ZQ5 · PDBe 5ZQ5 · UniProt Q6RCR1 · UniProt P0CG48

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