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Crystal structure of escherichia COLI phnd in complex with 2- aminoethyl phosphonate

Analyse Crystal structure of escherichia COLI phnd in complex with 2- aminoethyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3P7I
Type: protein
Length: 300 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phnd, subunit of alkylphosphonate ABC transporter
UniProt: Q1R3F7
Ligands: P7I
Pockets: 2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phnd, subunit of alkylphosphonate ABC transporter	protein	300	52% helix, 20% strand	Q1R3F7

Ligands and binding sites

P7I · (2-aminoethyl)phosphonic acid · ligand · chains A
GOL · Glycerol · additive · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	170	0.57	0.81	35	empty
2	60	0.29	0.74	15	empty

Compared structures

3P7I · Crystal structure of Escherichia coli PhnD in complex with 2-aminoethyl phosphonate · 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 Q1R3F7
Elsewhere: RCSB PDB 3P7I · PDBe 3P7I · UniProt Q1R3F7

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