3F7U

crystal structure of soluble domain of ca4 in complex with small molecule.

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 47
  • Norm. En. per Res.: -2.7955
• Hub Node: A(3)

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	-5.1146	52.495	-159.454	-112.0735	73	4	1	6587	4	28	26
A-C	0.0	0.0	-24.3575	-24.3575	30	0	0	976	0	4	4
A-D	-23.4488	-6.508	-99.2604	-129.2171	49	3	0	3176	3	22	12
B-C	-21.816	-9.3956	-100.179	-131.3905	47	4	0	3178	4	20	8
B-D	-13.5159	1.0417	-80.2237	-92.6979	47	6	1	3665	1	9	7
C-D	-10.1804	0.0	-23.6627	-33.8431	22	1	0	917	0	7	7

Interface residues

• A-B: ALA115A, ALA150A, ALA225A, ALA225B, ARG220A, ARG220B, ASN166A, ASN166B, ASP243A, ASP243B, ASP99A, ASP99B, GLN152B, GLN222A, GLN222B, GLN227A, GLN227B, GLN237A, GLN237B, GLU162B, GLU221A, GLU221B, GLU236A, GLU236B, GLY151B, HIS219A, HIS219B, ILE223A, LEU100A, LEU100B, LEU224A, LEU224B, LEU229A, LEU229B, LYS103A, LYS103B, LYS169A, LYS169B, LYS228A, LYS228B, LYS242A, LYS242B, MET241A, MET241B, PHE226A, PHE226B, PRO101A, PRO101B, PRO168A, PRO168B, SER11A, SER165A, SER165B, SER227A, SER227B, SER240A, SER240B, SER98A, SER98B, THR151A, THR151B, THR238A, THR238B, TRP97A, TRP97B, TYR102A, TYR102B, TYR230A, TYR230B, VAL239A, VAL239B, VAL9A, VAL9B
• A-C: ALA150A, ARG220A, ARG246C, ARG27C, ASN22C, ASP26C, CYS23C, GLN152A, GLN217A, GLN249C, GLN24C, GLN250C, GLN253C, GLN28C, GLU149A, GLU155A, GLU205C, GLY151A, GLY20C, GLY21C, GLY252C, HIS219A, LYS15C, LYS188A, LYS25C, PRO101A, THR151A, TRP16C, VAL14C, VAL153A
• A-D: ASN32A, ASN32D, ASP110A, ASP110D, GLN249A, GLN249D, GLN250A, GLN250D, GLU112A, GLU112D, GLU149A, GLY111A, GLY111D, GLY252A, GLY252D, HIS113A, HIS113D, ILE33A, ILE33D, LEU100A, LEU100D, LEU109A, LEU109D, LEU248A, LEU248D, LEU251A, LEU251D, LYS103A, LYS103D, LYS258A, LYS258D, LYS37A, LYS37D, PHE114A, PHE114D, PRO101A, PRO101D, SER108A, SER108D, THR35A, THR35D, THR36A, THR36D, TYR102A, TYR102D, VAL14A, VAL14D, VAL34A, VAL34D
• B-C: ASN32B, ASN32C, ASP110B, ASP110C, GLN250B, GLN250C, GLU112B, GLU112C, GLU149B, GLU149C, GLY111B, GLY111C, GLY252C, HIS113B, HIS113C, ILE33B, ILE33C, LEU100B, LEU100C, LEU109B, LEU109C, LEU248B, LEU248C, LEU251B, LEU251C, LYS103B, LYS103C, LYS258B, LYS258C, LYS37B, LYS37C, PHE114B, PHE114C, PRO101B, PRO101C, PRO215B, PRO215C, SER108B, SER108C, THR35B, THR35C, THR36B, THR36C, TYR102B, TYR102C, VAL34B, VAL34C
• B-D: ALA150B, ARG220B, ARG246D, ARG254D, ARG27D, ASN154B, ASN22D, ASP26D, CYS203D, CYS23D, GLN152B, GLN158B, GLN217B, GLN222B, GLN249D, GLN24D, GLN250D, GLN28D, GLU149B, GLU155B, GLU162B, GLU205D, GLU214B, GLY151B, GLY156B, GLY20D, GLY21D, HIS219B, ILE216B, LEU11D, LEU218B, LEU248D, LYS15D, LYS187B, LYS188B, LYS25D, PRO13D, PRO186B, PRO215B, PRO247D, PRO30D, SER29D, THR151B, TRP16D, VAL12D, VAL14D, VAL153B
• C-D: ARG254C, ARG254D, ARG27D, ASP26D, GLN250D, GLN253C, GLN253D, GLU138C, GLU138D, GLY252C, GLY252D, LEU195D, LEU251C, LEU251D, LYS37C, LYS39C, LYS39D, LYS43C, LYS43D, THR255C, THR255D, VAL256C