1SMR

the 3-d structure of mouse submaxillary renin complexed with a decapeptide inhibitor ch-66 based on the 4-16 fragment of rat angiotensinogen

• Total interactions analyzed: 28
• Total true interactions: 5
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 88
  • Norm. En. per Res.: -3.0944
• Hub Node: C(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	-36.846	-3.5705	-230.874	-271.2905	88	8	3	7955	0	5	8
C-D	-36.8423	-3.5688	-231.879	-272.29	88	14	3	7945	0	5	8
C-G	0.0	0.0	-0.0024	-0.0024	2	0	0	3	0	0	0
E-F	-36.8371	-3.5696	-231.9	-272.3067	88	12	3	7940	0	5	8
G-H	-36.84	-3.5704	-230.581	-270.9914	88	7	3	7950	0	5	8

Interface residues

• A-B: ALA115A, ALA127A, ALA129A, ALA223A, ALA285A, ALA288A, ALA303A, ALA36A, ARG241A, ARG79A, ASN11A, ASN37A, ASP188A, ASP215A, ASP290A, ASP32A, GLN116A, GLN128A, GLN13A, GLU244A, GLY122A, GLY124A, GLY131A, GLY217A, GLY296A, GLY302A, GLY34A, GLY76A, GLY78A, HIS243A, HIS287A, HIS2B, HIS53A, HIS5B, HIS74A, ILE110A, ILE221A, ILE291A, ILE30A, ILE73A, LEU107A, LEU109A, LEU10A, LEU114A, LEU276A, LEU286A, LEU301A, MET113A, MET289A, PHE112A, PHE117A, PHE125A, PHE220A, PHE4B, PHE71A, PRO108A, PRO111A, PRO292A, PRO293A, PRO294A, PRO3B, SER12A, SER189A, SER218A, SER219A, SER222A, SER35A, SER77A, SER9B, THR283A, THR295A, THR304A, THR33A, THR72A, TRP299A, TRP39A, TYR14A, TYR245A, TYR75A, TYR7B, TYR8B, TYR9A, VAL120A, VAL130A, VAL213A, VAL284A, VAL298A, VAL300A
• C-D: ALA115C, ALA127C, ALA129C, ALA223C, ALA285C, ALA288C, ALA303C, ALA36C, ARG241C, ARG79C, ASN11C, ASN37C, ASP188C, ASP215C, ASP290C, ASP32C, GLN116C, GLN128C, GLN13C, GLU244C, GLY122C, GLY124C, GLY131C, GLY132C, GLY217C, GLY296C, GLY302C, GLY34C, GLY76C, GLY78C, HIS243C, HIS287C, HIS2D, HIS53C, HIS5D, HIS74C, ILE110C, ILE221C, ILE291C, ILE30C, ILE73C, LEU107C, LEU109C, LEU10C, LEU114C, LEU276C, LEU286C, LEU301C, MET113C, MET289C, PHE112C, PHE117C, PHE125C, PHE220C, PHE4D, PHE71C, PRO108C, PRO111C, PRO292C, PRO293C, PRO294C, PRO3D, SER12C, SER189C, SER218C, SER219C, SER222C, SER35C, SER77C, SER9D, THR283C, THR295C, THR33C, THR72C, TRP299C, TRP39C, TYR14C, TYR245C, TYR75C, TYR7D, TYR8D, TYR9C, VAL120C, VAL130C, VAL213C, VAL284C, VAL298C, VAL300C
• C-G: PRO294C, THR187G
• E-F: ALA115E, ALA127E, ALA129E, ALA223E, ALA285E, ALA288E, ALA303E, ALA36E, ARG241E, ARG79E, ASN11E, ASN37E, ASP188E, ASP215E, ASP290E, ASP32E, GLN116E, GLN128E, GLN13E, GLU244E, GLY122E, GLY124E, GLY131E, GLY132E, GLY217E, GLY296E, GLY302E, GLY34E, GLY76E, GLY78E, HIS243E, HIS287E, HIS2F, HIS53E, HIS5F, HIS74E, ILE110E, ILE221E, ILE291E, ILE30E, ILE73E, LEU107E, LEU109E, LEU10E, LEU114E, LEU276E, LEU286E, LEU301E, MET113E, MET289E, PHE112E, PHE117E, PHE125E, PHE220E, PHE4F, PHE71E, PRO108E, PRO111E, PRO292E, PRO293E, PRO294E, PRO3F, SER12E, SER189E, SER218E, SER219E, SER222E, SER35E, SER77E, SER9F, THR283E, THR295E, THR33E, THR72E, TRP299E, TRP39E, TYR14E, TYR245E, TYR75E, TYR7F, TYR8F, TYR9E, VAL120E, VAL130E, VAL213E, VAL284E, VAL298E, VAL300E
• G-H: ALA115G, ALA127G, ALA129G, ALA223G, ALA285G, ALA288G, ALA303G, ALA36G, ARG241G, ARG79G, ASN11G, ASN37G, ASP188G, ASP215G, ASP290G, ASP32G, GLN116G, GLN128G, GLN13G, GLU244G, GLY122G, GLY124G, GLY131G, GLY217G, GLY296G, GLY302G, GLY34G, GLY76G, GLY78G, HIS243G, HIS287G, HIS2H, HIS53G, HIS5H, HIS74G, ILE110G, ILE221G, ILE291G, ILE30G, ILE73G, LEU107G, LEU109G, LEU10G, LEU114G, LEU276G, LEU286G, LEU301G, MET113G, MET289G, PHE112G, PHE117G, PHE125G, PHE220G, PHE4H, PHE71G, PRO108G, PRO111G, PRO292G, PRO293G, PRO294G, PRO3H, SER12G, SER189G, SER218G, SER219G, SER222G, SER35G, SER77G, SER9H, THR283G, THR295G, THR304G, THR33G, THR72G, TRP299G, TRP39G, TYR14G, TYR245G, TYR75G, TYR7H, TYR8H, TYR9G, VAL120G, VAL130G, VAL213G, VAL284G, VAL298G, VAL300G