MolNFT v1 · #120493 · protein

Crystal structure of chikungunya virus capsid protein

5H23: “Crystal structure of chikungunya virus capsid protein”. X-ray diffraction, 3 pockets (best druggability 0.53). MolNFT v1 #120493 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5H23
Type: protein
Length: 302 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Capsid protein
UniProt: A0A1D8H158
Pockets: 3 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Capsid protein	protein	151	7% helix, 52% strand	A0A1D8H158

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B
BOG · octyl beta-D-glucopyranoside · additive · 2 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	108	0.53	0.83	19	EDO
2	83	0.49	0.82	21	empty
3	70	0.33	0.75	18	EDO

Interfaces

1 interface between chains.

A–B · 439 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

5H23 · Crystal structure of Chikungunya virus capsid protein · 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 A0A1D8H158
Elsewhere: RCSB PDB 5H23 · PDBe 5H23 · UniProt A0A1D8H158

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