MolNFT v1 · #132359 · protein

Structure of unliganded HUMRADA1.3

5QUL: “Structure of unliganded HUMRADA1.3”. X-ray diffraction, 1 ligand (PO4), 6 pockets (best druggability 0.59). MolNFT v1 #132359 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5QUL
Type: protein
Length: 437 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Rada
Ligands: PO4
Pockets: 6 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Rada	protein	220	39% helix, 27% strand	—
B	Rada	protein	217	37% helix, 28% strand	—

Ligands and binding sites

PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Pockets

6 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	273	0.59	0.79	46	empty
2	117	0.56	0.84	20	empty
3	80	0.50	0.84	18	empty
4	65	0.35	0.78	15	PO4
5	73	0.33	0.75	15	PO4

Interfaces

1 interface between chains.

A–B · 702 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

5QUL · Structure of unliganded HumRadA1.3 · 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
Elsewhere: RCSB PDB 5QUL · PDBe 5QUL

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