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Pseudomonas fluorescens phox in complex with the substrate analogue appcp

Analyse Pseudomonas fluorescens phox in complex with the substrate analogue appcp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4A9X
Type: protein
Length: 581 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phox
EC: 3.1.3.1
UniProt: Q3K5N8
Ligands: ACP, FEO, CA
Pockets: 3 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phox (EC 3.1.3.1)	protein	581	13% helix, 33% strand	Q3K5N8

Ligands and binding sites

ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
FEO · Mu-oxo-diiron · ligand · chains A
CA · Calcium ion · metal · 3 copies · chains A
EDO · 1,2-ethanediol · additive · 2 copies · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	446	0.72	0.82	33	empty
2	292	0.54	0.76	36	ACP, CA, FEO
3	124	0.42	0.76	17	empty

Compared structures

4A9X · Pseudomonas fluorescens PhoX in complex with the substrate analogue AppCp · 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 Q3K5N8
Elsewhere: RCSB PDB 4A9X · PDBe 4A9X · UniProt Q3K5N8

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