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Thiourocanate hydratase from paenibacillus sp. SOIL724D2 in complex with cofactor NAD+ and urocanate

Analyse Thiourocanate hydratase from paenibacillus sp. SOIL724D2 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7NED
Type: protein
Length: 545 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Urocanate hydratase
EC: 4.2.1.49
UniProt: A0A0Q9KFZ4
Ligands: URO, NAD
Pockets: 3 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Urocanate hydratase (EC 4.2.1.49)	protein	545	45% helix, 16% strand	A0A0Q9KFZ4

Ligands and binding sites

URO · (2E)-3-(1H-imidazol-4-yl)acrylic acid · ligand · chains A
NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

3 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	667	0.81	0.85	79	URO, NAD
2	93	0.38	0.76	19	empty
3	83	0.35	0.75	18	empty

Compared structures

7NED · Thiourocanate hydratase from Paenibacillus sp. Soil724D2 in complex with cofactor NAD+… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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Every structure of UniProt A0A0Q9KFZ4
Elsewhere: RCSB PDB 7NED · PDBe 7NED · UniProt A0A0Q9KFZ4

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