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Gmppcp-bound stalkless-mxa

Analyse Gmppcp-bound stalkless-mxa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4P4S
Type: protein
Length: 639 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Interferon-induced GTP-binding protein MX1
UniProt: P20591
Ligands: GCP, MG
Pockets: 10 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Interferon-induced GTP-binding protein MX1	protein	303	45% helix, 18% strand	P20591
B	Interferon-induced GTP-binding protein MX1	protein	336	47% helix, 16% strand	P20591

Ligands and binding sites

GCP · Phosphomethylphosphonic acid guanylate ester · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	350	0.81	0.91	59	GCP, MG
2	324	0.81	0.91	55	GCP, MG
3	91	0.75	0.97	30	empty
4	163	0.62	0.84	29	empty
5	189	0.53	0.78	18	empty

Interfaces

1 interface between chains.

A–B · 1354 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

4P4S · GMPPCP-bound stalkless-MxA · the same entry in another collection · chain A against A, TM-score 1.00
P20591 · AlphaFold monomer V2.0 prediction for interferon-induced GTP-binding protein MX1 (P20591) · a predicted model of the same protein · chain A against A, TM-score 0.89

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 P20591
Elsewhere: RCSB PDB 4P4S · PDBe 4P4S · UniProt P20591

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