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Humicola insolens cutinase

Analyse Humicola insolens cutinase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4OYY
Type: protein
Length: 2,301 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cutinase
Pockets: 20 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 41% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, D, E, H, J, K	Cutinase	protein	191	42% helix, 15% strand	—
C, F, G, I	Cutinase	protein	193	40% helix, 16% strand	—
L	Cutinase	protein	192	42% helix, 15% strand	—

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	508	0.75	0.83	59	empty
2	854	0.75	0.79	59	empty
3	482	0.67	0.79	52	empty
4	798	0.65	0.74	55	empty
5	266	0.63	0.80	41	empty

Interfaces

19 interfaces between chains.

G–H · 422 Å² buried · 4 hydrogen bonds · protein-protein
J–K · 419 Å² buried · 3 hydrogen bonds · protein-protein
A–B · 418 Å² buried · 3 hydrogen bonds · protein-protein
D–E · 417 Å² buried · 5 hydrogen bonds · protein-protein
F–G · 365 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 disulfide (disulfide).

Compared structures

4OYY · Humicola insolens cutinase · 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
Elsewhere: RCSB PDB 4OYY · PDBe 4OYY

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