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Crystal structure of chorismate synthase complexed with FMN

Analyse Crystal structure of chorismate synthase complexed with FMN in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1UM0
Type: protein
Length: 1,460 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chorismate synthase
EC: 4.2.3.5
UniProt: P56122
Ligands: FMN
Pockets: 20 · best druggability 0.91

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Chorismate synthase (EC 4.2.3.5)	protein	365	32% helix, 24% strand	P56122

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · 4 copies · chains A, D, B, C

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	998	0.91	0.94	174	empty
2	1006	0.82	0.83	93	FMN
3	1010	0.79	0.81	101	FMN
4	1086	0.78	0.80	104	FMN
5	211	0.77	0.92	32	empty

Interfaces

6 interfaces between chains.

A–D · 4120 Å² buried · 61 hydrogen bonds · protein-protein
B–C · 4039 Å² buried · 58 hydrogen bonds · protein-protein
A–B · 1476 Å² buried · 18 hydrogen bonds · protein-protein
C–D · 1459 Å² buried · 18 hydrogen bonds · protein-protein
B–D · 1458 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

1UM0 · Crystal structure of chorismate synthase complexed with FMN · the same entry in another collection · chain A against A, TM-score 1.00
P56122 · AlphaFold monomer V2.0 prediction for chorismate synthase (P56122) · a predicted model of the same protein · chain C against A, TM-score 0.95

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 P56122
Elsewhere: RCSB PDB 1UM0 · PDBe 1UM0 · UniProt P56122

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