MolNFT v1 · #172534 · protein

Osm-3 kinesin motor domain complexed with MG.AMPPNP

7A5E · Osmotic avoidance abnormal protein 3: “Osm-3 kinesin motor domain complexed with MG.AMPPNP”. X-ray diffraction, 3 ligands (ANP, MG, SO4), 9 pockets (best druggability 0.65). MolNFT v1 #172534 on GenesisL1: 3D structure, binding…

PDB: 7A5E
Type: protein
Length: 673 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Osmotic avoidance abnormal protein 3
UniProt: P46873
Ligands: ANP, MG, SO4
Pockets: 9 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Osmotic avoidance abnormal protein 3	protein	338	34% helix, 32% strand	P46873
B	Osmotic avoidance abnormal protein 3	protein	335	34% helix, 29% strand	P46873

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 4 copies · chains A, B
GOL · Glycerol · additive · 7 copies · chains A, B

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

Pockets

9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	443	0.65	0.78	48	empty
2	216	0.63	0.82	28	GOL
3	255	0.57	0.78	48	ANP, MG
4	144	0.54	0.81	25	GOL
5	201	0.52	0.77	22	empty

Interfaces

1 interface between chains.

A–B · 642 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

7A5E · OSM-3 kinesin motor domain complexed with Mg.AMPPNP · the same entry in another collection · chain A against A, TM-score 1.00
P46873 · AlphaFold monomer V2.0 prediction for osmotic avoidance abnormal protein 3 (P46873) · 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 P46873
Elsewhere: RCSB PDB 7A5E · PDBe 7A5E · UniProt P46873

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