3OE0

Crystal structure of the CXCR4 chemokine receptor in complex with a cyclic peptide antagonist CVX15

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003796	molecular_function	lysozyme activity
A	0004930	molecular_function	G protein-coupled receptor activity
A	0007186	biological_process	G protein-coupled receptor signaling pathway
A	0009253	biological_process	peptidoglycan catabolic process
A	0016020	cellular_component	membrane
A	0016798	molecular_function	hydrolase activity, acting on glycosyl bonds
A	0016998	biological_process	cell wall macromolecule catabolic process
A	0019955	molecular_function	cytokine binding
A	0030430	cellular_component	host cell cytoplasm
A	0031640	biological_process	killing of cells of another organism
A	0042742	biological_process	defense response to bacterium
A	0044659	biological_process	viral release from host cell by cytolysis

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	BINDING SITE FOR CHAIN I OF POLYPHEMUSIN ANALOG, CXC CHEMOKINE RECEPTOR ANTAGONIST

Chain	Residue
A	HIS113
A	ASP193
A	VAL196
A	PHE199
A	GLN200
A	ASP262
A	LEU266
A	GLU277
A	HIS281
A	ILE284
A	SER285
A	TYR116
A	GLU288
I	HOH1601
I	HOH1602
I	HOH1604
A	THR117
A	ASP171
A	ASP187
A	ARG188
A	PHE189
A	TYR190
A	PRO191

---

Functional Information from PROSITE/UniProt

site_id	PS00237
Number of Residues	17
Details	G_PROTEIN_RECEP_F1_1 G-protein coupled receptors family 1 signature. SSVwILAFISLDRYLaI

Chain	Residue	Details
A	SER122-ILE138

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	TRANSMEM: Helical; Name=1 => ECO:0000269|PubMed:20929726

Chain	Residue	Details
A	ILE39-MET63

---

site_id	SWS_FT_FI2
Number of Residues	36
Details	TOPO_DOM: Cytoplasmic => ECO:0000269|PubMed:20929726

Chain	Residue	Details
A	GLY64-ARG77
A	SER131-LYS154

---

site_id	SWS_FT_FI3
Number of Residues	21
Details	TRANSMEM: Helical; Name=2 => ECO:0000269|PubMed:20929726

Chain	Residue	Details
A	LEU78-VAL99

---

site_id	SWS_FT_FI4
Number of Residues	50
Details	TOPO_DOM: Extracellular => ECO:0000269|PubMed:20929726

Chain	Residue	Details
A	ALA100-LYS110
A	ALA175-TRP195
A	ASP262-LYS282

---

site_id	SWS_FT_FI5
Number of Residues	19
Details	TRANSMEM: Helical; Name=3 => ECO:0000269|PubMed:20929726

Chain	Residue	Details
A	ALA111-ILE130

---

site_id	SWS_FT_FI6
Number of Residues	19
Details	TRANSMEM: Helical; Name=4 => ECO:0000269|PubMed:20929726

Chain	Residue	Details
A	VAL155-PHE174

---

site_id	SWS_FT_FI7
Number of Residues	20
Details	TRANSMEM: Helical; Name=5 => ECO:0000269|PubMed:20929726

Chain	Residue	Details
A	VAL196-LEU216

---

site_id	SWS_FT_FI8
Number of Residues	19
Details	TRANSMEM: Helical; Name=6 => ECO:0000269|PubMed:20929726

Chain	Residue	Details
A	VAL242-ILE261

---

site_id	SWS_FT_FI9
Number of Residues	19
Details	TRANSMEM: Helical; Name=7 => ECO:0000269|PubMed:20929726

Chain	Residue	Details
A	TRP283-TYR302

---

site_id	SWS_FT_FI10
Number of Residues	1
Details	SITE: Chemokine binding

Chain	Residue	Details
A	ASP171

---

site_id	SWS_FT_FI11
Number of Residues	1
Details	SITE: Chemokine binding => ECO:0000269|PubMed:20929726, ECO:0000305|PubMed:10825158

Chain	Residue	Details
A	GLU288

---

site_id	SWS_FT_FI12
Number of Residues	2
Details	MOD_RES: Sulfotyrosine; partial => ECO:0000269|PubMed:18834145

Chain	Residue	Details
A	TYR7
A	TYR12

---

site_id	SWS_FT_FI13
Number of Residues	1
Details	MOD_RES: Sulfotyrosine => ECO:0000269|PubMed:12034737, ECO:0000269|PubMed:16725153, ECO:0000269|PubMed:18834145

Chain	Residue	Details
A	TYR21

---

site_id	SWS_FT_FI14
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648

Chain	Residue	Details
A	SER319

---

site_id	SWS_FT_FI15
Number of Residues	1
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:10756055

Chain	Residue	Details
A	ASN11

---

site_id	SWS_FT_FI16
Number of Residues	1
Details	CARBOHYD: O-linked (Xyl...) (chondroitin sulfate) serine => ECO:0000269|PubMed:12034737

Chain	Residue	Details
A	SER18

---

site_id	SWS_FT_FI17
Number of Residues	1
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255

Chain	Residue	Details
A	ASN176

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues
Details	M-CSA 921

Chain

Residue

Details

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