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Crystal structure of the salmonella spvb atr domain in complex with NADH

Analyse Crystal structure of the salmonella spvb atr domain in complex with NADH in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2GWL
Type: protein
Length: 200 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 65 kda virulence protein
UniProt: P17450
Ligands: NAI
Pockets: 1 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	65 kda virulence protein	protein	200	38% helix, 22% strand	P17450

Ligands and binding sites

NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	401	0.58	0.75	43	NAI

Compared structures

2GWL · Crystal structure of the Salmonella SpvB ATR Domain in complex with NADH · the same entry in another collection · chain A against A, TM-score 1.00
P17450 · AlphaFold monomer V2.0 prediction for MONO(ADP-RIBOSYL)TRANSFERASE spvb (P17450) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P17450
Elsewhere: RCSB PDB 2GWL · PDBe 2GWL · UniProt P17450

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