Binding Site Information of Target

Content Navigation (  All   None )                                      
Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T16263 Target Info
Target Name T-cell-specific protein RANTES (CCL5)
Synonyms Tcellspecific protein RANTES; TCP228; T cellspecific protein P228; T cell-specific protein P228; Smallinducible cytokine A5; Small-inducible cytokine A5; SISdelta; SIS-delta; SCYA5; RANTES(468); Eosinophil chemotactic cytokine; EoCP; D17S136E; CC motif chemokine 5; C-C motif chemokine 5
Target Type Clinical trial Target
Gene Name CCL5
Biochemical Class Cytokine: CC chemokine
UniProt ID
CCL5_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Levovist Ligand Info
Structure Description Crystal structure of CC chemokine 5 (CCL5) oligomer in complex with heparin PDB:5DNF
Method X-ray diffraction Resolution 2.55 Å Mutation No [1]
PDB Sequence
SSDTTPCCFA
13
YIARPLPRAH
23
IKEYFYTSGK
33
CSNPAVVFVT
43
RKNRQVCANP
53

EKKWVREYIN
63
SLEMS
Residue
Distance (Å)
SER4
1.409
Residue
Distance (Å)
SER5
3.395
Ligand Name: Pyroglutamic Acid Ligand Info
Structure Description Crystal Structure of CC Chemokine Receptor 5 (CCR5) in complex with high potency HIV entry inhibitor 5P7-CCL5 PDB:5UIW
Method X-ray diffraction Resolution 2.20 Å Mutation Yes [2]
PDB Sequence
GPPLMALQSC
10
CFAYIARPLP
20
RAHIKEYFYT
30
SGKCSNPAVV
40
FVTRKNRQVC
50

ANPEKKWVRE
60
YINSLEM
Residue
Distance (Å)
GLY1
1.327
PRO2
4.799
MET5
4.064
Residue
Distance (Å)
GLY32
4.165
LYS33
3.748
Ligand Name: Beta-D-Glucose Ligand Info
Structure Description Crystal structure of CC chemokine 5 (CCL5) oligomer in complex with heparin PDB:5DNF
Method X-ray diffraction Resolution 2.55 Å Mutation No [1]
PDB Sequence
SSDTTPCCFA
13
YIARPLPRAH
23
IKEYFYTSGK
33
CSNPAVVFVT
43
RKNRQVCANP
53

EKKWVREYIN
63
SLEMS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BGC or .BGC2 or .BGC3 or :3BGC;style chemicals stick;color identity;select .A:5 or .A:6 or .A:7 or .A:8 or .A:31 or .A:33; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
SER5
3.428
ASP6
3.113
THR7
4.072
Residue
Distance (Å)
THR8
3.328
SER31
3.113
LYS33
4.539
Ligand Name: Pentyloxyamino-acetaldehyde Ligand Info
Structure Description TOTAL CHEMICAL SYNTHESIS AND HIGH-RESOLUTION CRYSTAL STRUCTURE OF THE POTENT ANTI-HIV PROTEIN AOP-RANTES PDB:1B3A
Method X-ray diffraction Resolution 1.60 Å Mutation No [3]
PDB Sequence
PYSSDTTPCC
11
FAYIARPLPR
21
AHIKEYFYTS
31
GKCSNPAVVF
41
VTRKNRQVCA
51

NPEKKWVREY
61
INSLEMS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AOP or .AOP2 or .AOP3 or :3AOP;style chemicals stick;color identity;select .A:2 or .A:3; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PRO2
1.325
Residue
Distance (Å)
TYR3
3.439
References  Top
REF 1 Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3. Proc Natl Acad Sci U S A. 2016 May 3;113(18):5000-5.
REF 2 Structure of CC Chemokine Receptor 5 with a Potent Chemokine Antagonist Reveals Mechanisms of Chemokine Recognition and Molecular Mimicry by HIV. Immunity. 2017 Jun 20;46(6):1005-1017.e5.
REF 3 Total chemical synthesis and high-resolution crystal structure of the potent anti-HIV protein AOP-RANTES. Chem Biol. 1999 Jan;6(1):43-51.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.