MolNFT v1 · #149746 · protein

Crystal structure of immunomodulatory active chitinase from trichuris suis, TSES1

6G9C: “Crystal structure of immunomodulatory active chitinase from trichuris suis, TSES1”. X-ray diffraction, 5 pockets (best druggability 0.76). MolNFT v1 #149746 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6G9C
Type: protein
Length: 736 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Immunomodulatory active chitinase
UniProt: A0A085LU44
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Immunomodulatory active chitinase	protein	368	37% helix, 23% strand	A0A085LU44

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 11 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	775	0.76	0.80	51	empty
2	379	0.66	0.79	48	EDO
3	394	0.66	0.79	44	EDO
4	84	0.46	0.81	16	empty
5	71	0.43	0.81	16	empty

Interfaces

1 interface between chains.

A–B · 550 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

6G9C · Crystal structure of immunomodulatory active chitinase from Trichuris suis, TsES1 · 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 A0A085LU44
Elsewhere: RCSB PDB 6G9C · PDBe 6G9C · UniProt A0A085LU44

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