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Crystal structure of ges-14

Analyse Crystal structure of ges-14 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3TSG
Type: protein
Length: 532 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Extended-spectrum beta-lactamase ges-14
EC: 3.5.2.6
UniProt: D3X610
Ligands: IOD
Pockets: 9 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Extended-spectrum beta-lactamase ges-14 (EC 3.5.2.6)	protein	266	48% helix, 19% strand	D3X610

Ligands and binding sites

IOD · Iodide ion · ion · 55 copies · chains A, B
GOL · Glycerol · additive · 11 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	481	0.72	0.81	46	IOD, GOL
2	93	0.46	0.80	15	empty
3	104	0.43	0.78	16	empty
4	62	0.36	0.78	19	empty
5	104	0.34	0.73	21	IOD, GOL

Interfaces

1 interface between chains.

A–B · 982 Å² buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3TSG · Crystal structure of GES-14 · 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 D3X610
Elsewhere: RCSB PDB 3TSG · PDBe 3TSG · UniProt D3X610

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