MolNFT v1 · #17571 · protein

Structure of cutinase

1OXM: “Structure of cutinase”. X-ray diffraction, 1 ligand (TC4), 1 pocket (best druggability 0.60). MolNFT v1 #17571 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1OXM
Type: protein
Length: 392 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cutinase
EC: 3.1.1.-
UniProt: P00590
Ligands: TC4
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Cutinase (EC 3.1.1.-)	protein	196	43% helix, 15% strand	P00590

Ligands and binding sites

TC4 · Butyl-phosphinic acid 2,3-bis-butylcarbamoyloxy-propyl ester group · ligand · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	286	0.60	0.79	42	TC4

Interfaces

1 interface between chains.

A–B · 205 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 2 covalent (disulfide, covalent ligand).

Compared structures

1OXM · Structure of cutinase · the same entry in another collection · chain A against A, TM-score 1.00
P00590 · AlphaFold monomer V2.0 prediction for cutinase 1 (P00590) · a predicted model of the same protein · chain B 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 P00590
Elsewhere: RCSB PDB 1OXM · PDBe 1OXM · UniProt P00590

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