MolNFT v1 · #123927 · protein

Hsad bound to 3,5-dichloro-4-hydroxybenzoic acid

5JZS · 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase bphd: “Hsad bound to 3,5-dichloro-4-hydroxybenzoic acid”. X-ray diffraction, 1 ligand (FGZ), 6 pockets (best druggability 0.78). MolNFT v1 #123927 on GenesisL1: 3D structure…

PDB: 5JZS
Type: protein
Length: 568 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase bphd
EC: 3.7.1.8
UniProt: A0A045KDP6
Ligands: FGZ
Pockets: 6 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase bphd (EC 3.7.1.8)	protein	284	45% helix, 18% strand	A0A045KDP6

Ligands and binding sites

FGZ · 3,5-dichloro-4-hydroxybenzoic acid · ligand · chains B

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	94	0.78	0.99	20	empty
2	675	0.75	0.80	76	empty
3	589	0.73	0.81	67	FGZ
4	119	0.41	0.75	24	empty
5	86	0.40	0.78	14	empty

Interfaces

1 interface between chains.

A–B · 647 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

5JZS · HsaD bound to 3,5-dichloro-4-hydroxybenzoic acid · the same entry in another collection · chain B against B, 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 A0A045KDP6
Elsewhere: RCSB PDB 5JZS · PDBe 5JZS · UniProt A0A045KDP6

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