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Structure of hipa-amppnp-peptide

Analyse Structure of hipa-amppnp-peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3FBR
Type: protein
Length: 445 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE-protein kinase toxin hipa; Peptide of ef-tu
EC: 2.7.11.1
UniProt: P23874
Ligands: ACP
Pockets: 6 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE-protein kinase toxin hipa (EC 2.7.11.1)	protein	436	34% helix, 18% strand	P23874
B	Peptide of ef-tu	protein	9	0% helix, 0% strand	—

Ligands and binding sites

ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A

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

Pockets

6 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	422	0.83	0.91	73	ACP
2	71	0.45	0.81	15	empty
3	155	0.44	0.75	23	empty
4	110	0.44	0.78	17	empty
5	83	0.39	0.77	22	empty

Interfaces

1 interface between chains.

A–B · 218 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3FBR · structure of HipA-amppnp-peptide · the same entry in another collection · chain A against A, TM-score 1.00
P23874 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase toxin hipa (P23874) · 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 P23874
Elsewhere: RCSB PDB 3FBR · PDBe 3FBR · UniProt P23874

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