MolNFT v1 · #15039 · protein

Triclinic form of trypanosoma cruzi trans-sialidase, soaked with N- acetylneuraminyl-a-2,3-thio-galactoside (na-S-gal)

1MS5: “Triclinic form of trypanosoma cruzi trans-sialidase, soaked with N- acetylneuraminyl-a-2,3-thio-galactoside…”. X-ray diffraction, 8 pockets (best druggability 0.59). MolNFT v1 #15039 on GenesisL1: 3D structure, binding sites and…

PDB: 1MS5
Type: protein
Length: 1,244 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Trans-sialidase
EC: 3.2.1.18
UniProt: Q26964
Pockets: 8 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Trans-sialidase (EC 3.2.1.18)	protein	623	8% helix, 47% strand	Q26964
B	Trans-sialidase (EC 3.2.1.18)	protein	621	8% helix, 47% strand	Q26964

Pockets

8 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	219	0.59	0.81	37	empty
2	277	0.58	0.78	31	empty
3	254	0.57	0.78	25	empty
4	202	0.54	0.78	35	empty
5	60	0.30	0.75	16	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1MS5 · Triclinic form of Trypanosoma cruzi trans-sialidase, soaked with… · 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 Q26964
Elsewhere: RCSB PDB 1MS5 · PDBe 1MS5 · UniProt Q26964

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