Structure of PDB 3oe6 Chain A

Receptor sequence

>3oe6A (length=418) Species: 9606,10665

NFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVAD
LLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVWILAFISLDR
YLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRY
ICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLDEGLRLKI
YKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLF
NQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFSLR
MLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDRKALKTTVIL
ILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFH
CCLNPILYAFLGAKFKTS

3D structure

• PDB: 3oe6 Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
• Chain: A
• Resolution: 3.2 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E1011 D1020
• Catalytic site (residue number reindexed from 1): E194 D203
• Enzyme Commision number: 3.2.1.17: lysozyme.

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	ITD	A	W94 D97 Y116 R183 C186 D187 E288	W60 D63 Y82 R149 C152 D153 E394	PDBbind-CN: -logKd/Ki=8.09,Ki=8.2nM

Gene Ontology

Molecular Function

• GO:0003796 lysozyme activity
• GO:0004930 G protein-coupled receptor activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0019955 cytokine binding

Biological Process

• GO:0007186 G protein-coupled receptor signaling pathway
• GO:0009253 peptidoglycan catabolic process
• GO:0016998 cell wall macromolecule catabolic process
• GO:0031640 killing of cells of another organism
• GO:0042742 defense response to bacterium
• GO:0044659 viral release from host cell by cytolysis

Cellular Component

• GO:0016020 membrane
• GO:0030430 host cell cytoplasm

External links

• PDB: RCSB:3oe6, PDBe:3oe6, PDBj:3oe6
• PDBsum: 3oe6
• PubMed: 20929726
• UniProt: P00720|ENLYS_BPT4 Endolysin (Gene Name=E);
  P61073|CXCR4_HUMAN C-X-C chemokine receptor type 4 (Gene Name=CXCR4)