6LUQ: Chimera of D dopamine receptor and Endolysin

Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands. Determined by X-ray diffraction at 3.1 Å resolution. Released 4 Mar 2020.

Method: X-ray diffraction
Resolution: 3.1 Å
Organisms: Homo sapiens, Enterobacteria phage T4
Chains: 1
Atoms: 3,284
Mol. weight: 50.39 kDa
Ligands: GMJ, OLA
Released: 4 Mar 2020

Explore 6LUQ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6LUQ contains 22 α-helices and 6 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 22 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	37-61	25
α-helix	63-65	3
α-helix	68-82	15
α-helix	83-87	5
α-helix	88-97	10
α-helix	104-137	34
α-helix	146-171	26
α-helix	183-185	3
α-helix	187-194	8
α-helix	195-199	5
α-helix	200-231	32
β-strand	235-236	2	1
β-strand	237	1	2
β-strand	238-240	3	1
β-strand	246-249	4	1
β-strand	252-255	4	1
α-helix	260-271	12
β-strand	278	1	2
α-helix	281-300	20
α-helix	306-311	6
α-helix	314-332	19
α-helix	336-343	8
α-helix	347-354	8
α-helix	358-362	5
α-helix	364-376	13
α-helix	388-418	31
α-helix	426-449	24
α-helix	452-462	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
chimera of D(2) dopamine receptor and Endolysin	A	protein	430	Homo sapiens, Enterobacteria phage T4	D9IEF7, P14416 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6LUQ_1 chimera of D(2) dopamine receptor and Endolysin (chains A)
NYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYL
EVVGEWKFSRIHCDIFVTLDVMMCTASALNLCAISIDRYTAVAMPMLYNTRYSSKRRVTV
MISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYI
VLRRRRKRNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRN
TNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAG
FTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKLSQQKEKKATQ
MAAIVAGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEF
RKAFLKILHC

Ligands and cofactors

ID	Name	Formula	Copies
GMJ	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one	C21 H23 Cl F N O2	1
OLA	Oleic acid	C18 H34 O2	4

Primary citation

Haloperidol bound D2dopamine receptor structure inspired the discovery of subtype selective ligands. Fan, L., Tan, L., Chen, Z. et al. Nat Commun (2020) 11:1074-1074. DOI 10.1038/s41467-020-14884-y · PubMed

Other PDB entries of the same protein (UniProt D9IEF7), best resolution first:

7LOG 0.99 Å, T4 lysozyme mutant L99A in complex with 3-butylpyridine
9DJK 1.04 Å, T4 Lysozyme D127H/V131H
7XE7 1.05 Å, T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH10
7LXA 1.07 Å, T4 lysozyme mutant L99A
9DJM 1.08 Å, T4 Lysozyme K147H/T151H
7XE6 1.1 Å, T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH7
7XEA 1.1 Å, T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, DMSO 40%, and then backsoaking
9DJI 1.1 Å, T4 Lysozyme R119H/Q123H
9DJD 1.11 Å, T4 Lysozyme A73H/G77H/Y139F co-crystallized with Cu(II)-NTA
8F11 1.12 Å, T4 lysozyme with a 2,6-diazaadamantane nitroxide (DZD) spin label
9DJB 1.13 Å, T4 Lysozyme A73H/G77H
9DJC 1.13 Å, T4 Lysozyme A73H/G77H/Y139F

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