MolNFT v1 · #182484 · protein

Crystal structure of Y103F mutant of CG10062 with a covalent intermediate of the hydration of acetylenecarboxylic acid

7MS8 · 4-oxalocrotonate tautomerase: “Crystal structure of Y103F mutant of CG10062 with a covalent intermediate of the hydration of…”. X-ray diffraction, 1 ligand (3OH), 2 pockets (best druggability 0.68). MolNFT v1 #182484 on GenesisL1…

PDB: 7MS8
Type: protein
Length: 146 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 4-oxalocrotonate tautomerase
EC: 5.3.2.6
UniProt: A0A0S2T163
Ligands: 3OH
Pockets: 2 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	4-oxalocrotonate tautomerase (EC 5.3.2.6)	protein	146	43% helix, 26% strand	A0A0S2T163

Ligands and binding sites

3OH · 3-hydroxy-propanoic acid · ligand · chains A

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

Pockets

2 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	131	0.68	0.89	21	3OH
2	59	0.28	0.74	11	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

7MS8 · Crystal structure of Y103F mutant of Cg10062 with a covalent intermediate of the… · 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 A0A0S2T163
Elsewhere: RCSB PDB 7MS8 · PDBe 7MS8 · UniProt A0A0S2T163

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