MolNFT v1 · #119603 · protein

Structure aurora a (122-403) bound to activating monobody MB1 and amppcp

5G15 · Aurora a kinase: “Structure aurora a (122-403) bound to activating monobody MB1 and amppcp”. X-ray diffraction, 3 ligands (ACP, MG, SO4), 2 pockets (best druggability 0.70). MolNFT v1 #119603 on GenesisL1: 3D structure, binding…

PDB: 5G15
Type: protein
Length: 353 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aurora a kinase; MB1 monobody
EC: 2.7.11.1
UniProt: O14965
Ligands: ACP, MG, SO4
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aurora a kinase (EC 2.7.11.1)	protein	265	43% helix, 19% strand	O14965
B	MB1 monobody	protein	88	0% helix, 52% strand	—

Ligands and binding sites

ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
MG · Magnesium ion · metal · chains A
SO4 · Sulfate ion · ion · 4 copies · chains A, B

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

Pockets

2 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	452	0.70	0.81	38	ACP, MG
2	267	0.56	0.77	33	SO4

Interfaces

1 interface between chains.

A–B · 942 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

5G15 · Structure Aurora A (122-403) bound to activating monobody Mb1 and AMPPCP · the same entry in another collection · chain A against A, TM-score 1.00
O14965 · AlphaFold monomer V2.0 prediction for aurora kinase a (O14965) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 O14965
Elsewhere: RCSB PDB 5G15 · PDBe 5G15 · UniProt O14965

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