MolNFT v1 · #22834 · protein

Crystal structure of outer membrane enzyme pagp

1THQ · Crca protein: “Crystal structure of outer membrane enzyme pagp”. X-ray diffraction, 1 pocket (best druggability 0.75). MolNFT v1 #22834 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1THQ
Type: protein
Length: 147 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Crca protein
UniProt: P37001
Pockets: 1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 58% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Crca protein	protein	147	12% helix, 58% strand	P37001

Ligands and binding sites

ACT · Acetate ion · additive · 5 copies · chains A
LDA · Lauryl dimethylamine-N-oxide · additive · 5 copies · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · 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	361	0.75	0.85	37	ACT, LDA

Compared structures

1THQ · Crystal Structure of Outer Membrane Enzyme PagP · the same entry in another collection · chain A against A, TM-score 1.00
P37001 · AlphaFold monomer V2.0 prediction for lipid a palmitoyltransferase pagp (P37001) · a predicted model of the same protein · chain A against A, TM-score 0.88

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 P37001
Elsewhere: RCSB PDB 1THQ · PDBe 1THQ · UniProt P37001

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