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Co-crystal structure of wbdd and kinase inhibitor GW435821X.

Analyse Co-crystal structure of wbdd and kinase inhibitor GW435821X. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4AZV
Type: protein
Length: 442 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Wbdd
UniProt: Q47592
Ligands: SAM, SO4, CL
Pockets: 3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Wbdd	protein	442	41% helix, 21% strand	Q47592

Ligands and binding sites

SAM · S-adenosylmethionine · ligand · chains A
SO4 · Sulfate ion · ion · 4 copies · chains A
CL · Chloride ion · ion · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	240	0.65	0.83	35	SAM
2	315	0.62	0.79	37	empty
3	68	0.39	0.79	21	empty

Compared structures

4AZV · Co-crystal structure of WbdD and kinase inhibitor GW435821x. · the same entry in another collection · chain A against A, TM-score 1.00
Q47592 · AlphaFold monomer V2.0 prediction for O-antigen chain terminator bifunctional… · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q47592
Elsewhere: RCSB PDB 4AZV · PDBe 4AZV · UniProt Q47592

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