MolNFT v1 · #145336 · protein

Phosphopantetheine adenylyltransferase (coad) in complex with (R)-3- ((7-(((S)-2-amino-2-(2-METHOXYPHENYL)ETHYL)AMINO)-5-methyl-[1,2, 4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL)AMINO)-3-(3-chlorophenyl) propanenitrile

6CKW: “Phosphopantetheine adenylyltransferase (coad) in complex with (R)-3…”. X-ray diffraction, 2 ligands (F6D, SO4). MolNFT v1 #145336 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6CKW
Type: protein
Length: 316 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P0A6I6
Ligands: F6D, SO4

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	157	—	P0A6I6
B	—	protein	159	—	P0A6I6

Ligands and binding sites

F6D · (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl) ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 9 copies · chains A, B
DMS · Dimethyl sulfoxide · additive · 4 copies · chains A, B
PG4 · Tetraethylene glycol · additive · chains B

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

Compared structures

6CKW · Phosphopantetheine adenylyltransferase (CoaD) in complex with… · 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 6CKW · PDBe 6CKW · UniProt P0A6I6

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