MolNFT v1 · #88370 · protein

Yeast chorismate mutase + tyr + endooxabicyclic inhibitor

4CSM: “Yeast chorismate mutase + tyr + endooxabicyclic inhibitor”. X-ray diffraction, 2 ligands (TYR, TSA), 5 pockets (best druggability 0.73). MolNFT v1 #88370 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4CSM
Type: protein
Length: 504 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chorismate mutase
EC: 5.4.99.5
UniProt: P32178
Ligands: TYR, TSA
Pockets: 5 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Chorismate mutase (EC 5.4.99.5)	protein	252	63% helix, 1% strand	P32178

Ligands and binding sites

TYR · Tyrosine · ligand · 2 copies · chains A, B
TSA · 8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid · ligand · 2 copies · chains A, B

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

Pockets

5 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	140	0.73	0.92	24	TSA
2	135	0.72	0.91	25	TSA
3	732	0.71	0.77	74	empty
4	183	0.50	0.77	29	empty
5	185	0.50	0.77	25	empty

Interfaces

1 interface between chains.

A–B · 485 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

4CSM · Yeast chorismate mutase + tyr + endooxabicyclic inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
P32178 · AlphaFold monomer V2.0 prediction for chorismate mutase (P32178) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P32178
Elsewhere: RCSB PDB 4CSM · PDBe 4CSM · UniProt P32178

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