MolNFT v1 · #142269 · protein

Redox-sensing transcriptional repressor rex

5ZZ6 · Redox-sensing transcriptional repressor rex 1: “Redox-sensing transcriptional repressor rex”. X-ray diffraction, 2 ligands (NAD, ADP), 10 pockets (best druggability 0.63). MolNFT v1 #142269 on GenesisL1: 3D structure, binding sites…

PDB: 5ZZ6
Type: protein
Length: 793 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Redox-sensing transcriptional repressor rex 1
UniProt: Q9WY16
Ligands: NAD, ADP
Pockets: 10 · best druggability 0.63

Structure

x-ray diffraction · 4 distinct chains · 50% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Redox-sensing transcriptional repressor rex 1	protein	200	51% helix, 20% strand	Q9WY16
B	Redox-sensing transcriptional repressor rex 1	protein	204	50% helix, 20% strand	Q9WY16
C	Redox-sensing transcriptional repressor rex 1	protein	201	50% helix, 18% strand	Q9WY16
D	Redox-sensing transcriptional repressor rex 1	protein	188	51% helix, 18% strand	Q9WY16

Ligands and binding sites

NAD · Nicotinamide-adenine-dinucleotide · ligand · 3 copies · chains A, B, C, D
ADP · Adenosine-5'-diphosphate · ligand · chains C, D

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

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	601	0.63	0.75	82	NAD
2	419	0.61	0.76	50	empty
3	428	0.59	0.75	54	empty
4	240	0.57	0.78	38	NAD
5	209	0.55	0.78	34	NAD

Interfaces

4 interfaces between chains.

C–D · 2346 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 2226 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 181 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 29 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5ZZ6 · Redox-sensing transcriptional repressor Rex · the same entry in another collection · chain D against D, TM-score 1.00
Q9WY16 · AlphaFold monomer V2.0 prediction for redox-sensing transcriptional repressor rex 1… · a predicted model of the same protein · chain D against A, TM-score 0.94

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 Q9WY16
Elsewhere: RCSB PDB 5ZZ6 · PDBe 5ZZ6 · UniProt Q9WY16

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