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Crystal structure of coronafacic acid ligase from pectobacterium brasiliense

Analyse Crystal structure of coronafacic acid ligase from pectobacterium brasiliense in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7A9I
Type: protein
Length: 500 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cfl
UniProt: M4GWN4
Ligands: R4Z, PO4
Pockets: 4 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cfl	protein	500	35% helix, 28% strand	M4GWN4

Ligands and binding sites

R4Z · 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid · ligand · chains A
PO4 · Phosphate ion · ion · 3 copies · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	492	0.64	0.77	57	empty
2	231	0.54	0.77	33	R4Z
3	104	0.40	0.76	20	empty
4	108	0.34	0.73	21	PO4

Compared structures

7A9I · Crystal structure of Coronafacic Acid Ligase from Pectobacterium brasiliense · the same entry in another collection · chain A against A, 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 M4GWN4
Elsewhere: RCSB PDB 7A9I · PDBe 7A9I · UniProt M4GWN4

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