3D0G

crystal structure of spike protein receptor-binding domain from the 2002-2003 sars coronavirus human strain complexed with human-civet chimeric receptor ace2

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 96
  • Norm. En. per Res.: -2.2732
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-5.188	-6.1463	-18.8051	-30.1395	25	4	0	867	2	20	19
A-E	-13.1816	9.8538	-211.424	-214.7519	99	10	1	8351	0	18	11
B-F	-16.6452	13.5854	-215.166	-218.2257	96	8	2	8296	0	17	11

Interface residues

• A-B: ALA533A, ARG582A, ASN432B, ASN586A, ASP427B, ASP431B, GLN429B, GLN531A, GLU430B, GLU433B, GLU527A, GLU536A, GLU536B, GLU549A, HIS535A, LYS288B, LYS416B, LYS419B, LYS534A, LYS541B, PHE428B, PRO426B, SER420B, SER425B, THR434B
• A-E: ALA25A, ALA36A, ALA386A, ALA387A, ALA471E, ARG357A, ARG393A, ARG426E, ARG444E, ASN330A, ASN33A, ASN424E, ASN435E, ASN473E, ASN479E, ASN49A, ASN61A, ASP355A, ASP392E, ASP393E, ASP463E, ASP480E, CYS474E, GLN325A, GLN37A, GLN396E, GLN42A, GLN492E, GLN76A, GLU23A, GLU30A, GLU329A, GLU35A, GLU38A, GLU75A, GLY326A, GLY352A, GLY354A, GLY403E, GLY434E, GLY464E, GLY482E, GLY488E, GLY490E, HIS445E, ILE405E, ILE489E, LEU24A, LEU29A, LEU351A, LEU39A, LEU443E, LEU472E, LEU79A, LYS26A, LYS353A, LYS390E, LYS68A, MET82A, PHE28A, PHE327A, PHE32A, PHE356A, PHE390A, PHE460E, PHE483E, PRO462E, PRO470E, PRO477E, SER19A, SER432E, SER461E, THR20A, THR21A, THR27A, THR31A, THR324A, THR431E, THR433E, THR485E, THR486E, THR487E, THR78A, TRP476E, TRP48A, TYR34A, TYR408E, TYR41A, TYR436E, TYR440E, TYR442E, TYR475E, TYR481E, TYR484E, TYR491E, TYR494E, TYR83A, VAL404E, VAL45A
• B-F: ALA25B, ALA36B, ALA386B, ALA471F, ALA80B, ARG357B, ARG393B, ARG426F, ARG444F, ASN330B, ASN33B, ASN424F, ASN473F, ASN479F, ASN49B, ASP355B, ASP392F, ASP393F, ASP463F, ASP480F, CYS474F, GLN325B, GLN37B, GLN388B, GLN42B, GLN492F, GLN76B, GLU23B, GLU30B, GLU329B, GLU35B, GLU38B, GLU75B, GLY326B, GLY352B, GLY354B, GLY434F, GLY464F, GLY482F, GLY488F, GLY490F, HIS445F, ILE405F, ILE489F, LEU24B, LEU29B, LEU351B, LEU39B, LEU443F, LEU472F, LEU79B, LYS26B, LYS353B, LYS390F, LYS465F, LYS68B, MET82B, PHE28B, PHE327B, PHE32B, PHE356B, PHE390B, PHE460F, PHE483F, PRO462F, PRO470F, PRO477F, SER19B, SER432F, SER461F, THR20B, THR21B, THR27B, THR31B, THR324B, THR431F, THR433F, THR485F, THR486F, THR487F, THR78B, TRP476F, TRP48B, TYR34B, TYR408F, TYR41B, TYR436F, TYR440F, TYR442F, TYR475F, TYR481F, TYR484F, TYR491F, TYR83B, VAL404F, VAL45B