Structure of PDB 7nb3 Chain BBB

Receptor sequence
>7nb3BBB (length=353) Species: 9606 (Homo sapiens) [Search protein sequence]
EQPEPRTRRRAYLWCKEFLPGAWRGLREDEFHISVIRGGLSNMLFQCSLP
DTTATLGDEPRKVLLRLYGAEAMVLESVMFAILAERSLGPKLYGIFPQGR
LEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTME
KYLKEVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPVVFCH
NDCQEGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWMYDY
SYEKYPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEE
MLLEVNRFALASHFLWGLWSIVQAKISSIEFGYMDYAQARFDAYFHQKRK
LGV
3D structure
PDB7nb3 Identification of unprecedented ATP-competitive choline kinase inhibitors.
ChainBBB
Resolution2.0 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.7.1.32: choline kinase.
2.7.1.82: ethanolamine kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 U6H BBB I116 R117 R146 F208 I209 S211 R213 I329 D330 I36 R37 R66 F104 I105 S107 R109 I225 D226
BS02 MG BBB N311 D330 N207 D226
External links
PDB RCSB:7nb3, PDBe:7nb3, PDBj:7nb3
PDBsum7nb3
PubMed34416377
UniProtP35790|CHKA_HUMAN Choline kinase alpha (Gene Name=CHKA)

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