MolNFT v1 · #115313 · protein

Crystal structure of ANT(2")-ia in complex with ampcpp and gentamicin C1

5CFT · Aminoglycoside nucleotidyltransferase (2")-ia: “Crystal structure of ANT(2")-ia in complex with ampcpp and gentamicin C1”. X-ray diffraction, 3 ligands (APC, 51G, MN), 2 pockets (best druggability 0.63). MolNFT v1 #115313 on…

PDB: 5CFT
Type: protein
Length: 175 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aminoglycoside nucleotidyltransferase (2")-ia
UniProt: Q6X3H6
Ligands: APC, 51G, MN
Pockets: 2 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aminoglycoside nucleotidyltransferase (2")-ia	protein	175	48% helix, 23% strand	Q6X3H6

Ligands and binding sites

APC · Diphosphomethylphosphonic acid adenosyl ester · ligand · chains A
51G · gentamicin C1 · ligand · chains A
MN · Manganese (II) ion · metal · 2 copies · chains A
P6G · Hexaethylene glycol · 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	342	0.63	0.79	33	MN, APC, 51G
2	63	0.36	0.78	17	empty

Compared structures

5CFT · Crystal Structure of ANT(2)-Ia in complex with AMPCPP and gentamicin C1" · 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 Q6X3H6
Elsewhere: RCSB PDB 5CFT · PDBe 5CFT · UniProt Q6X3H6

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