3OE0: CXCR4 chemokine receptor

Crystal structure of the CXCR4 chemokine receptor in complex with a cyclic peptide antagonist CVX15. Determined by X-ray diffraction at 2.9 Å resolution. Released 27 Oct 2010.

Method: X-ray diffraction
Resolution: 2.9 Å
Organisms: Homo Sapiens, Enterobacteria phage T4
Chains: 2
Atoms: 3,640
Mol. weight: 58.83 kDa
Released: 27 Oct 2010

Explore 3OE0 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3OE0 contains 29 α-helices and 11 β-strands across 2 chains. 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: 29 helices, 9 β-strands

Element	Residues	Length	Sheet
α-helix	26-29	4
α-helix	34-35	2
α-helix	36-40	5
α-helix	41-62	22
α-helix	72-88	17
α-helix	91-99	9
α-helix	105-139	35
α-helix	141-143	3
α-helix	145-150	6
α-helix	151-155	5
α-helix	156	1
α-helix	157-161	5
α-helix	162-167	6
α-helix	169-174	6
β-strand	175-179	5	1
β-strand	184-188	5	1
β-strand	189-190	2	2
α-helix	193-204	12
α-helix	205-209	5
α-helix	210-1007	25
α-helix	1008-1012	5
β-strand	1013-1015	3	3
β-strand	1016	1	4
β-strand	1017-1019	3	3
β-strand	1025-1029	5	3
β-strand	1031-1034	4	3
α-helix	1039-1050	12
β-strand	1057	1	4
α-helix	1060-1079	20
α-helix	1084-1090	7
α-helix	1093-1112	20
α-helix	1115-1122	8
α-helix	1126-1134	9
α-helix	1137-1141	5
α-helix	1143-1155	13
α-helix	239-266	28
α-helix	273-291	19
α-helix	294-301	8

Chain I: 0 helices, 2 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	2
β-strand	10-13	4	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
C-X-C chemokine receptor type 4, Lysozyme Chimera	A	protein	499	Homo Sapiens, Enterobacteria phage T4	P00720, P61073 (AlphaFold model)
Polyphemusin analog, CXC chemokine receptor antagonist	I	protein	16

Sequence of entity 1 (A), FASTA

>3OE0_1 C-X-C chemokine receptor type 4, Lysozyme Chimera (chains A)
DYKDDDDAGAPEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFL
TGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCK
AVHVIYTVNLYSSVWILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIP
DFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHNI
FEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEA
EKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQ
KRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYSGSGHQKRKALKPTVILILAFF
ACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKF
KTSAQHALTSGRPLEVLFQ

Sequence of entity 2 (I), FASTA

>3OE0_2 Polyphemusin analog, CXC chemokine receptor antagonist (chains I)
RRACYQKPPYRRCRGP

Primary citation

Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Wu, B., Chien, E.Y., Mol, C.D. et al. Science (2010) 330:1066-1071. DOI 10.1126/science.1194396 · PubMed

Other PDB entries of the same protein (UniProt P00720), best resolution first:

2O7A 0.84 Å, T4 lysozyme C-terminal fragment
5JDT 1.0 Å, Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at 100K
7LOE 1.01 Å, T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene
7LOD 1.02 Å, T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene
7LX8 1.03 Å, T4 lysozyme mutant L99A
5XPF 1.04 Å, High-resolution X-ray structure of the T26H mutant of T4 lysozyme
6BG3 1.05 Å, Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl…
7LOF 1.05 Å, T4 lysozyme mutant L99A in complex with 2-butylthiophene
7LX6 1.05 Å, T4 lysozyme mutant L99A
7LX7 1.05 Å, T4 lysozyme mutant L99A
1SWY 1.06 Å, Use of a Halide Binding Site to Bypass the 1000-atom Limit to Ab initio Structure…
1SWZ 1.06 Å, Use of an ion-binding site to bypass the 1000-atom limit to ab initio structure…

Browse structure collections

About this viewer

MolViewer shows 3OE0 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.