MolNFT v1 · #169413 · protein

Structure of trichoplusia ni poxin in post-reactive state with GP[2'- 5']AP[3']

6XB5: “Structure of trichoplusia ni poxin in post-reactive state with GP[2'- 5']AP[3']”. X-ray diffraction, 1 ligand (9BG), 6 pockets (best druggability 0.64). MolNFT v1 #169413 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6XB5
Type: protein
Length: 480 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Poxin
Ligands: 9BG
Pockets: 6 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Poxin	protein	240	8% helix, 44% strand	—

Ligands and binding sites

9BG · 2',5'-GpAp · ligand · 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	431	0.64	0.78	46	9BG
2	341	0.64	0.79	30	9BG
3	114	0.40	0.76	19	empty
4	66	0.37	0.78	16	empty
5	66	0.33	0.75	14	empty

Interfaces

1 interface between chains.

A–B · 1363 Å² buried · 38 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

6XB5 · Structure of Trichoplusia ni poxin in post-reactive state with Gp[2'-5']Ap[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 6XB5 · PDBe 6XB5

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