MolNFT v1 · #145221 · protein

Phosphopantetheine adenylyltransferase (coad) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]TRIAZOLO[1,5- A]PYRIMIDIN-2-YL)AMINO)ETHYL)PHENOXY)PIPERIDINE-1-carboxylate

6CHN: “Phosphopantetheine adenylyltransferase (coad) in complex with methyl…”. X-ray diffraction, 2 ligands (F1D, SO4). MolNFT v1 #145221 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6CHN
Type: protein
Length: 317 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P0A6I6
Ligands: F1D, SO4

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	157	—	P0A6I6
B	—	protein	160	—	P0A6I6

Ligands and binding sites

F1D · Methyl 4-(3-{(1R)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl) amino]ethyl}phenoxy)piperidine-1-carboxylate · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 5 copies · chains A, B
PG4 · Tetraethylene glycol · additive · 2 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · chains A

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

Compared structures

6CHN · Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl… · the same entry in another collection · chain A against A, TM-score 1.00
P0A6I6 · AlphaFold monomer V2.0 prediction for phosphopantetheine adenylyltransferase (P0A6I6) · a predicted model of the same protein · chain A 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 P0A6I6
Elsewhere: RCSB PDB 6CHN · PDBe 6CHN · UniProt P0A6I6

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