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Crystal structure of rsp in complex with alpha-NAD+

Analyse Crystal structure of rsp in complex with alpha-NAD+ in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3WGG
Type: protein
Length: 426 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Redox-sensing transcriptional repressor rex
UniProt: D5KM69
Ligands: 8NA, SO4
Pockets: 5 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Redox-sensing transcriptional repressor rex	protein	213	49% helix, 17% strand	D5KM69

Ligands and binding sites

8NA · alpha-Diphosphopyridine nucleotide · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 6 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	519	0.78	0.86	37	SO4
2	187	0.64	0.84	35	8NA, SO4
3	174	0.62	0.83	30	8NA, SO4
4	55	0.56	0.89	17	empty
5	55	0.28	0.74	16	SO4

Interfaces

1 interface between chains.

A–B · 3009 Å² buried · 27 hydrogen bonds · protein-protein

Compared structures

3WGG · Crystal structure of RSP in complex with alpha-NAD+ · 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 D5KM69
Elsewhere: RCSB PDB 3WGG · PDBe 3WGG · UniProt D5KM69

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