MolNFT v1 · #128859 · protein

Pseudomonas stutzeri ptxb in complex with methylphosphonate (mpn) to 1.37 a resolution

5O37 · Probable phosphite transport system-binding protein ptxb: “Pseudomonas stutzeri ptxb in complex with methylphosphonate (mpn) to 1.37 a resolution”. X-ray diffraction, 1 ligand (GB), 1 pocket (best druggability 0.72). MolNFT v1…

PDB: 5O37
Type: protein
Length: 261 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable phosphite transport system-binding protein ptxb
UniProt: O69052
Ligands: GB
Pockets: 1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Probable phosphite transport system-binding protein ptxb	protein	261	41% helix, 25% strand	O69052

Ligands and binding sites

GB · Methylphosphonic acid ester group · 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	239	0.72	0.87	30	empty

Compared structures

5O37 · Pseudomonas stutzeri PtxB in complex with methylphosphonate (MPn) to 1.37 A resolution · the same entry in another collection · chain A against A, TM-score 1.00
O69052 · AlphaFold monomer V2.0 prediction for probable phosphite transport system-binding protein… · 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 O69052
Elsewhere: RCSB PDB 5O37 · PDBe 5O37 · UniProt O69052

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