MolNFT v1 · #160010 · protein

Structure of E. COLI MS115-1 cdnc + ATP

6P80 · E. COLI MS115-1 nucc: “Structure of E. COLI MS115-1 cdnc + ATP”. X-ray diffraction, 3 ligands (ATP, MG, CL), 2 pockets (best druggability 0.73). MolNFT v1 #160010 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6P80
Type: protein
Length: 318 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: E. COLI MS115-1 nucc
UniProt: D7Y2H2
Ligands: ATP, MG, CL
Pockets: 2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	E. COLI MS115-1 nucc	protein	318	50% helix, 13% strand	D7Y2H2

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · chains A
MG · Magnesium ion · metal · chains A
CL · Chloride ion · ion · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Pockets

2 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	592	0.73	0.80	45	ATP, MG
2	130	0.40	0.75	26	empty

Compared structures

6P80 · Structure of E. coli MS115-1 CdnC + ATP · the same entry in another collection · chain A against A, TM-score 1.00
D7Y2H2 · AlphaFold monomer V2.0 prediction for cyclic AMP-AMP-AMP synthase (D7Y2H2) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 D7Y2H2
Elsewhere: RCSB PDB 6P80 · PDBe 6P80 · UniProt D7Y2H2

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