Research workbench

Human CTPS1 bound to UTP, amppnp, and glutamine

Analyse Human CTPS1 bound to UTP, amppnp, and glutamine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7MGZ
Type: protein
Length: 2,168 residues
Chains: 4
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CTP synthase 1
EC: 6.3.4.2
UniProt: P17812
Ligands: UTP, GLN, ANP, MG
Pockets: 20 · best druggability 0.83

Structure

electron microscopy · 1 distinct chain · 41% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
F, O, P, Q	CTP synthase 1 (EC 6.3.4.2)	protein	542	41% helix, 21% strand	P17812

Ligands and binding sites

UTP · Uridine 5'-triphosphate · ligand · 4 copies · chains F, P, Q, O
GLN · Glutamine · ligand · 4 copies · chains F, O, P, Q
ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 4 copies · chains F, P, O, Q
MG · Magnesium ion · metal · 8 copies · chains F, O, P, Q

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

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	487	0.83	0.90	65	UTP, MG, ANP
2	472	0.82	0.90	72	MG, UTP, ANP
3	443	0.82	0.89	74	MG, UTP, ANP
4	373	0.80	0.90	56	UTP, MG, ANP
5	231	0.76	0.90	31	empty

Interfaces

6 interfaces between chains.

O–P · 1405 Å² buried · 20 hydrogen bonds · protein-protein
F–Q · 1402 Å² buried · 20 hydrogen bonds · protein-protein
O–Q · 949 Å² buried · 10 hydrogen bonds · protein-protein
F–P · 948 Å² buried · 10 hydrogen bonds · protein-protein
F–O · 395 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

7MGZ · Human CTPS1 bound to UTP, AMPPNP, and glutamine · the same entry in another collection · chain Q against Q, TM-score 1.00
P17812 · AlphaFold monomer V2.0 prediction for CTP synthase 1 (P17812) · a predicted model of the same protein · chain P against A, TM-score 0.99

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 P17812
Elsewhere: RCSB PDB 7MGZ · PDBe 7MGZ · UniProt P17812

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.