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TRANSGLUTAMINASE2 complexed with GTP

Analyse TRANSGLUTAMINASE2 complexed with GTP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4PYG
Type: protein
Length: 2,055 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein-glutamine gamma-glutamyltransferase 2
EC: 2.3.2.13
UniProt: P21980
Ligands: GTP
Pockets: 20 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, E	Protein-glutamine gamma-glutamyltransferase 2 (EC 2.3.2.13)	protein	685	15% helix, 39% strand	P21980

Ligands and binding sites

GTP · Guanosine-5'-triphosphate · ligand · 3 copies · chains A, B, E

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	983	0.86	0.87	104	empty
2	305	0.72	0.85	56	empty
3	414	0.70	0.82	55	empty
4	331	0.69	0.83	54	GTP
5	173	0.68	0.87	34	empty

Interfaces

2 interfaces between chains.

B–E · 1294 Å² buried · 14 hydrogen bonds · protein-protein
A–B · 747 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

4PYG · Transglutaminase2 complexed with GTP · the same entry in another collection · chain A against A, TM-score 1.00
P21980 · AlphaFold monomer V2.0 prediction for protein-glutamine gamma- glutamyltransferase 2… · 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 P21980
Elsewhere: RCSB PDB 4PYG · PDBe 4PYG · UniProt P21980

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