MolNFT v1 · #5064 · protein

Chitinase B from serratia marcescens inactive mutant E144Q

1E6P: “Chitinase B from serratia marcescens inactive mutant E144Q”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.80). MolNFT v1 #5064 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1E6P
Type: protein
Length: 994 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chitinase B
UniProt: Q54276
Ligands: SO4
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chitinase B	protein	497	31% helix, 21% strand	Q54276
B	Chitinase B	protein	497	31% helix, 20% strand	Q54276

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A, B
GOL · Glycerol · additive · 18 copies · chains A, B

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	1036	0.80	0.81	110	GOL
2	1082	0.79	0.80	84	GOL
3	80	0.37	0.77	18	empty

Interfaces

1 interface between chains.

A–B · 1454 Å² buried · 24 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1E6P · Chitinase B from Serratia marcescens inactive mutant E144Q · 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 Q54276
Elsewhere: RCSB PDB 1E6P · PDBe 1E6P · UniProt Q54276

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