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Amicoumacin kinase hamin in complex with AMP-pnp, CA2+ and ami

Analyse Amicoumacin kinase hamin in complex with AMP-pnp, CA2+ and ami in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6SUN
Type: protein
Length: 334 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aph domain-containing protein, amicoumacin kinase
EC: 2.7.1.230
UniProt: W8QKP2
Ligands: ANP, UAM, CA
Pockets: 5 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aph domain-containing protein, amicoumacin kinase (EC 2.7.1.230)	protein	334	48% helix, 16% strand	W8QKP2

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
UAM · Amicoumacin A · ligand · chains A
CA · Calcium ion · metal · 2 copies · chains A

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

Pockets

5 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	660	0.73	0.79	66	CA, ANP, UAM
2	50	0.51	0.88	16	empty
3	71	0.41	0.79	13	empty
4	57	0.32	0.76	14	empty
5	56	0.32	0.77	12	empty

Compared structures

6SUN · Amicoumacin kinase hAmiN in complex with AMP-PNP, Ca2+ and Ami · 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 W8QKP2
Elsewhere: RCSB PDB 6SUN · PDBe 6SUN · UniProt W8QKP2

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