MolNFT v1 · #80305 · protein

Crystal structure of E. COLI hypf with ATP and carbamoyl phosphate

3TSQ · Transcriptional regulatory protein: “Crystal structure of E. COLI hypf with ATP and carbamoyl phosphate”. X-ray diffraction, 3 ligands (CA0, ZN, MG), 5 pockets (best druggability 0.85). MolNFT v1 #80305 on GenesisL1: 3D structure…

PDB: 3TSQ
Type: protein
Length: 647 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulatory protein
EC: 2.1.3.-
UniProt: Q7ABC4
Ligands: CA0, ZN, MG
Pockets: 5 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulatory protein (EC 2.1.3.-)	protein	647	36% helix, 19% strand	Q7ABC4

Ligands and binding sites

CA0 · 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine · ligand · chains A
ZN · Zinc ion · metal · 3 copies · chains A
MG · Magnesium ion · metal · chains A

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

Pockets

5 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	1187	0.85	0.86	104	CA0
2	53	0.38	0.80	14	empty
3	61	0.36	0.77	17	empty
4	76	0.32	0.74	20	empty
5	57	0.29	0.75	16	empty

Compared structures

3TSQ · Crystal structure of E. coli HypF with ATP and Carbamoyl phosphate · 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 Q7ABC4
Elsewhere: RCSB PDB 3TSQ · PDBe 3TSQ · UniProt Q7ABC4

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