MolNFT v1 · #82354 · protein

Crystal structure of MOEO5 soaked for 3 hours in fspp

3VKA: “Crystal structure of MOEO5 soaked for 3 hours in fspp”. X-ray diffraction, 2 ligands (FPQ, MG), 5 pockets (best druggability 0.74). MolNFT v1 #82354 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3VKA
Type: protein
Length: 505 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MOEO5
UniProt: A0A011
Ligands: FPQ, MG
Pockets: 5 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	MOEO5	protein	253	41% helix, 19% strand	A0A011
B	MOEO5	protein	252	41% helix, 19% strand	A0A011

Ligands and binding sites

FPQ · (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · chains A, B

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

Pockets

5 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	297	0.74	0.86	35	FPQ
2	306	0.73	0.86	34	FPQ
3	135	0.55	0.81	27	empty
4	89	0.39	0.77	17	empty
5	94	0.39	0.77	19	empty

Interfaces

1 interface between chains.

A–B · 1182 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

3VKA · Crystal structure of MoeO5 soaked for 3 hours in FsPP · 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 A0A011
Elsewhere: RCSB PDB 3VKA · PDBe 3VKA · UniProt A0A011

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.