Putative hAPN receptor binding sites in SARS_CoV spike protein.
OBJECTIVE
To obtain the information of ligand-receptor binding between the S protein of SARS-CoV and CD13, identify the possible interacting domains or motifs related to binding sites, and provide clues for studying the functions of SARS proteins and designing anti-SARS drugs and vaccines.


METHODS
On the basis of comparative genomics, the homology search, phylogenetic analyses, and multi-sequence alignment were used to predict CD13 related interacting domains and binding sites in the S protein of SARS-CoV. Molecular modeling and docking simulation methods were employed to address the interaction feature between CD13 and S protein of SARS-CoV in validating the bioinformatics predictions.


RESULTS
Possible binding sites in the SARS-CoV S protein to CD13 have been mapped out by using bioinformatics analysis tools. The binding for one protein-protein interaction pair (D757-R761 motif of the SARS-CoV S protein to P585-A653 domain of CD13) has been simulated by molecular modeling and docking simulation methods.


CONCLUSIONS
CD13 may be a possible receptor of the SARS-CoV S protein, which may be associated with the SARS infection. This study also provides a possible strategy for mapping the possible binding receptors of the proteins in a genome.
Yu
Xiao-Jing
XJ
Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 200031, China.
Luo
Cheng
C
Lin
Jian-Cheng
JC
Hao
Pei
P
He
You-Yu
YY
Guo
Zong-Ming
ZM
Qin
Lei
L
Su
Jiong
J
Liu
Bo-Shu
BS
Huang
Yin
Y
Nan
Peng
P
Li
Chuan-Song
CS
Xiong
Bin
B
Luo
Xiao-Min
XM
Zhao
Guo-Ping
GP
Pei
Gang
G
Chen
Kai-Xian
KX
Shen
Xu
X
Shen
Jian-Hua
JH
Zou
Jian-Ping
JP
He
Wei-Zhong
WZ
Shi
Tie-Liu
TL
Zhong
Yang
Y
Jiang
Hua-Liang
HL
Li
Yi-Xue
YX
D000595:Amino Acid Sequence; D001665:Binding Sites; D018826:CD13 Antigens / Q000737:chemistry / Q000235:genetics / Q000378:metabolism*; D020134:Catalytic Domain; D019295:Computational Biology; D006801:Humans; D008562:Membrane Glycoproteins / Q000737:chemistry / Q000235:genetics / Q000378:metabolism*; D008969:Molecular Sequence Data; D011485:Protein Binding; D025941:Protein Interaction Mapping; D017434:Protein Structure, Tertiary; D045473:Severe acute respiratory syndrome-related coronavirus / Q000737:chemistry* / Q000235:genetics; D016415:Sequence Alignment; D045169:Severe Acute Respiratory Syndrome / Q000821:virology*; D064370:Spike Glycoprotein, Coronavirus; D014759:Viral Envelope Proteins / Q000737:chemistry / Q000235:genetics / Q000378:metabolism*
D008562:Membrane Glycoproteins; D064370:Spike Glycoprotein, Coronavirus; D014759:Viral Envelope Proteins; C578557:spike glycoprotein, SARS-CoV; C578553:spike protein, mouse hepatitis virus; D018826:CD13 Antigens