MolNFT v1 · #83940 · protein

Crystal structure of csyb complexed with CoA-sh

3WXY · Putative uncharacterized protein csyb: “Crystal structure of csyb complexed with CoA-sh”. X-ray diffraction, 1 ligand (COA), 6 pockets (best druggability 0.77). MolNFT v1 #83940 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3WXY
Type: protein
Length: 752 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative uncharacterized protein csyb
UniProt: Q53U84
Ligands: COA
Pockets: 6 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative uncharacterized protein csyb	protein	376	45% helix, 23% strand	Q53U84

Ligands and binding sites

COA · Coenzyme A · 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	400	0.77	0.86	58	COA
2	390	0.76	0.86	56	COA
3	103	0.52	0.83	19	empty
4	94	0.51	0.83	18	empty
5	157	0.46	0.77	26	empty

Interfaces

1 interface between chains.

A–B · 2582 Å² buried · 52 hydrogen bonds · protein-protein

Compared structures

3WXY · Crystal structure of CsyB complexed with CoA-SH · 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 Q53U84
Elsewhere: RCSB PDB 3WXY · PDBe 3WXY · UniProt Q53U84

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