Research workbench

5-carboxymethyl-2-hydroxymuconate isomerase

Analyse 5-carboxymethyl-2-hydroxymuconate isomerase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1OTG
Type: protein
Length: 375 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 5-carboxymethyl-2-hydroxymuconate isomerase
EC: 5.3.2.-
UniProt: Q05354
Ligands: SO4
Pockets: 5 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	5-carboxymethyl-2-hydroxymuconate isomerase (EC 5.3.2.-)	protein	125	40% helix, 34% strand	Q05354

Ligands and binding sites

SO4 · Sulfate ion · ion · 7 copies · chains A, B, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	538	0.80	0.87	49	SO4
2	83	0.41	0.79	21	SO4
3	71	0.41	0.80	22	SO4
4	122	0.41	0.76	21	empty
5	80	0.39	0.78	25	SO4

Interfaces

3 interfaces between chains.

B–C · 1410 Å² buried · 26 hydrogen bonds · protein-protein
A–B · 1398 Å² buried · 27 hydrogen bonds · protein-protein
A–C · 1395 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

1OTG · 5-carboxymethyl-2-hydroxymuconate isomerase · the same entry in another collection · chain A against A, TM-score 1.00
Q05354 · AlphaFold monomer V2.0 prediction for 5-carboxymethyl-2-hydroxymuconate delta-isomerase… · 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 Q05354
Elsewhere: RCSB PDB 1OTG · PDBe 1OTG · UniProt Q05354

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