4RWS: PDB entry 4RWS

Crystal structure of CXCR4 and viral chemokine antagonist vMIP-II complex (PSI Community Target). Determined by X-ray diffraction at 3.1 Å resolution. Released 11 Feb 2015.

Method: X-ray diffraction
Resolution: 3.1 Å
Organisms: Homo sapiens, Enterobacteria phage T4, Human herpesvirus 8 strain GK18
Chains: 2
Atoms: 3,953
Mol. weight: 65.75 kDa
Released: 11 Feb 2015

Explore 4RWS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4RWS contains 33 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: 28 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	28	1	1
α-helix	31-63	33
α-helix	73-83	11
α-helix	85-88	4
α-helix	91-99	9
α-helix	106-138	33
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	162-166	5
α-helix	170-173	4
β-strand	175-180	6	2
β-strand	183-188	6	2
α-helix	193-204	12
α-helix	205-209	5
α-helix	210-1010	28
β-strand	1018-1019	2	3
β-strand	1025-1027	3	3
β-strand	1031-1034	4	3
α-helix	1039-1050	12
α-helix	1060-1078	19
α-helix	1085-1088	4
α-helix	1094-1105	12
α-helix	1108-1111	4
α-helix	1115-1122	8
α-helix	1126-1133	8
α-helix	1143-1155	13
α-helix	1158-1160	3
α-helix	239-266	28
α-helix	274-291	18
α-helix	292-295	4
α-helix	297-300	4

Chain C: 5 helices, 5 β-strands

Element	Residues	Length	Sheet
β-strand	11	1	1
α-helix	19-21	3
β-strand	25-30	6	4
α-helix	31-32	2
β-strand	40-44	5	4
β-strand	49-52	4	4
α-helix	57-65	9
α-helix	67	1
β-strand	68	1	4
α-helix	69	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
C-X-C chemokine receptor type 4/Endolysin chimeric protein	A	protein	498	Homo sapiens, Enterobacteria phage T4	P00720, P61073 (AlphaFold model)
Viral macrophage inflammatory protein 2	C	protein	80	Human herpesvirus 8 strain GK18	Q98157 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4RWS_1 C-X-C chemokine receptor type 4/Endolysin chimeric protein (chains A)
DYKDDDDGAPEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLT
GIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKA
VHVIYTVNLYSSVWILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPD
FIFANVSEADDRYICCRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHNIF
EMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAE
KLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQK
RWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYSGSGHQKRKALKPTVILILAFFA
CWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFK
TSAQHALTSGRPLEVLFQ

Sequence of entity 2 (C), FASTA

>4RWS_2 Viral macrophage inflammatory protein 2 (chains C)
LGASCHRPDKCCLGYQKRPLPQVLLSSWYPTSQLCSKPGVIFLTKRGRQVCADKSKDWVK
KLMQQLPVTARYPYDVPDYA

Primary citation

Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine. Qin, L., Kufareva, I., Holden, L.G. et al. Science (2015) 347:1117-1122. DOI 10.1126/science.1261064 · 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…

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