MolNFT v1 · #83942 · protein

The I375W mutant of csyb complexed with CoA-sh

3WY0 · Putative uncharacterized protein csyb: “The I375W mutant of csyb complexed with CoA-sh”. X-ray diffraction, 1 ligand (COA), 8 pockets (best druggability 0.78). MolNFT v1 #83942 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3WY0
Type: protein
Length: 749 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: 8 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative uncharacterized protein csyb	protein	372	44% helix, 24% strand	Q53U84
B	Putative uncharacterized protein csyb	protein	377	43% 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

8 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	387	0.78	0.87	53	COA
2	338	0.77	0.87	51	COA
3	81	0.49	0.83	20	empty
4	162	0.47	0.76	27	empty
5	175	0.46	0.76	35	empty

Interfaces

1 interface between chains.

A–B · 2524 Å² buried · 54 hydrogen bonds · protein-protein

Compared structures

3WY0 · The I375W mutant 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 3WY0 · PDBe 3WY0 · UniProt Q53U84

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