Research workbench

Ewingella americana HOPBF1 kinase bound to AMP-pnp

Analyse Ewingella americana HOPBF1 kinase bound to AMP-pnp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6PWG
Type: protein
Length: 350 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Type III effector HOPBF1
UniProt: A0A2N0N2I2
Ligands: ANP
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Type III effector HOPBF1	protein	175	35% helix, 31% strand	A0A2N0N2I2

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
EDO · 1,2-ethanediol · additive · 5 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	85	0.74	0.96	23	empty
2	272	0.62	0.80	30	ANP
3	242	0.58	0.79	27	ANP

Interfaces

1 interface between chains.

A–B · 506 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

6PWG · Ewingella americana HopBF1 kinase bound to AMP-PNP · 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 A0A2N0N2I2
Elsewhere: RCSB PDB 6PWG · PDBe 6PWG · UniProt A0A2N0N2I2

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