MolNFT v1 · #26275 · protein

Crystal structure of TTK003001606

1WK4: “Crystal structure of TTK003001606”. X-ray diffraction, 5 pockets (best druggability 0.71). MolNFT v1 #26275 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1WK4
Type: protein
Length: 522 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TTK003001606
UniProt: Q5SJ05
Pockets: 5 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	TTK003001606	protein	174	34% helix, 33% strand	Q5SJ05

Ligands and binding sites

MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 3 copies · chains A, B, C

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

Pockets

5 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	452	0.71	0.81	47	MES
2	502	0.71	0.80	48	MES
3	479	0.69	0.79	43	MES
4	506	0.66	0.77	37	empty
5	86	0.48	0.82	21	empty

Interfaces

3 interfaces between chains.

A–C · 345 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 268 Å² buried · 2 hydrogen bonds · protein-protein
A–B · 266 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

1WK4 · Crystal structure of ttk003001606 · 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 Q5SJ05
Elsewhere: RCSB PDB 1WK4 · PDBe 1WK4 · UniProt Q5SJ05

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