Research workbench

SCCTS1 in complex with compound 5

Analyse SCCTS1 in complex with compound 5 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4TXE
Type: protein
Length: 288 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endochitinase
EC: 3.2.1.14
UniProt: P29029
Ligands: 38F
Pockets: 1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Endochitinase (EC 3.2.1.14)	protein	288	32% helix, 20% strand	P29029

Ligands and binding sites

38F · (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	101	0.47	0.80	28	38F

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

4TXE · ScCTS1 in complex with compound 5 · the same entry in another collection · chain A against A, TM-score 1.00
P29029 · AlphaFold monomer V2.0 prediction for endochitinase (P29029) · a predicted model of the same protein · 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 P29029
Elsewhere: RCSB PDB 4TXE · PDBe 4TXE · UniProt P29029

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