MolNFT v1 · #173060 · protein

Enzyme of biosynthetic pathway

7AN8 · Chorismate dehydratase: “Enzyme of biosynthetic pathway”. X-ray diffraction, 1 ligand (RDH), 8 pockets (best druggability 0.77). MolNFT v1 #173060 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7AN8
Type: protein
Length: 568 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chorismate dehydratase
EC: 4.2.1.151
UniProt: Q9L0T8
Ligands: RDH
Pockets: 8 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chorismate dehydratase (EC 4.2.1.151)	protein	285	51% helix, 21% strand	Q9L0T8
B	Chorismate dehydratase (EC 4.2.1.151)	protein	283	52% helix, 22% strand	Q9L0T8

Ligands and binding sites

RDH · 3-[(1-Carboxyvinyl)oxy]benzoic acid · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · chains B

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	82	0.77	0.99	21	RDH
2	77	0.75	0.98	20	RDH
3	281	0.56	0.77	36	empty
4	260	0.55	0.77	35	empty
5	104	0.43	0.78	12	empty

Interfaces

1 interface between chains.

A–B · 1271 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

7AN8 · Enzyme of biosynthetic pathway · the same entry in another collection · chain A against A, TM-score 1.00
Q9L0T8 · AlphaFold monomer V2.0 prediction for chorismate dehydratase (Q9L0T8) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q9L0T8
Elsewhere: RCSB PDB 7AN8 · PDBe 7AN8 · UniProt Q9L0T8

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