3LEE

crystal structure of the human squalene synthase complexed with bph- 652

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 35
  • Norm. En. per Res.: -4.1473
• Hub Node: A(4)

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	0.0	9.7808	-150.613	-140.8322	71	8	6	6805	0	7	10
A-C	-15.3966	11.6214	-125.939	-129.7142	74	10	5	7075	0	7	10
A-D	-39.5313	-52.5646	-53.0592	-145.1551	35	8	1	2585	10	20	25
A-E	0.0	26.2099	-3.5218	22.6881	17	0	0	264	0	10	15
B-C	-7.6118	8.0797	-160.633	-160.1651	75	7	6	7233	0	8	11
B-F	0.0	3.2783	-0.3522	2.9261	6	0	0	42	0	4	10
C-D	0.0	45.4399	-23.1836	22.2563	46	0	0	1391	0	17	19
C-F	-18.9464	-28.1431	-54.0279	-101.1175	36	7	1	2436	8	20	20
D-E	-11.4908	10.1284	-125.875	-127.2374	74	12	6	7006	0	7	12
D-F	0.0	0.838	-160.144	-159.306	75	8	5	7059	1	7	11
E-F	-20.6538	5.9215	-164.694	-179.4263	72	17	5	7413	0	6	11

Interface residues

• A-B: ALA328A, ALA328B, ALA333B, ALA336B, ALA55A, ALA56A, ALA60A, ARG360B, ARG367B, ARG52A, ARG66A, ASN282A, ASN287A, ASN330A, ASN330B, ASN370B, ASN48A, ASN67A, ASP327A, ASP327B, ASP62A, CYS43A, CYS70A, GLN283A, GLN340B, GLN361B, GLN369B, GLN49A, GLN59A, GLU343B, GLY63A, HIS347B, ILE274B, ILE291A, ILE337B, ILE338B, ILE363B, ILE366B, ILE58A, LEU40A, LEU47A, LEU61A, LYS335B, LYS41A, LYS45A, MET331B, MET342B, PHE286A, PHE288A, PHE54A, PRO332B, SER284A, SER364B, SER37A, SER38A, SER39A, SER51A, SER53A, THR329A, THR329B, THR365B, THR368B, THR42A, TYR339B, TYR341B, TYR346B, TYR44A, TYR46A, VAL285A, VAL334B, VAL57A
• A-C: ALA328A, ALA328C, ALA333A, ALA336A, ALA55C, ALA56C, ALA60C, ARG360A, ARG367A, ARG52C, ARG66C, ASN282C, ASN287C, ASN330A, ASN330C, ASN370A, ASN48C, ASN67C, ASP327A, ASP327C, ASP62C, CYS43C, CYS70C, GLN283C, GLN340A, GLN361A, GLN369A, GLN49C, GLN59C, GLU343A, GLY63C, HIS347A, ILE274A, ILE291C, ILE337A, ILE338A, ILE362A, ILE363A, ILE366A, ILE58C, LEU40C, LEU47C, LEU61C, LYS335A, LYS41C, LYS45C, MET295C, MET331A, MET342A, PHE286C, PHE288C, PHE54C, PRO332A, SER284C, SER364A, SER37C, SER38C, SER39C, SER51C, SER53C, THR329A, THR329C, THR365A, THR368A, THR42C, THR50C, TYR339A, TYR341A, TYR346A, TYR44C, TYR46C, VAL285C, VAL334A, VAL57C
• A-D: ALA189D, ARG203A, ARG203D, ARG279A, ARG279D, ARG281A, ARG281D, ASN370A, ASP194A, ASP194D, ASP200A, ASP200D, GLN369A, GLU191D, GLU193D, GLU199A, GLU199D, GLU202A, LEU196A, LEU196D, LEU280D, LYS138D, LYS335A, PRO195A, PRO195D, SER188D, SER190D, SER278A, SER278D, THR201A, THR275A, THR275D, TYR276A, VAL197A, VAL197D
• A-E: ALA136A, ALA136E, ASN134E, ASN282E, ASP62E, GLU137A, GLU191A, GLU191E, GLU64A, GLU64E, GLY63E, LYS138A, LYS138E, PHE192E, SER190A, SER190E, TYR139A
• B-C: ALA328B, ALA328C, ALA333C, ALA336C, ALA55B, ALA56B, ALA60B, ARG360C, ARG367C, ARG52B, ARG66B, ASN282B, ASN287B, ASN330B, ASN330C, ASN370C, ASN48B, ASN67B, ASP327B, ASP327C, ASP62B, CYS43B, GLN283B, GLN340C, GLN361C, GLN369C, GLN49B, GLN59B, GLU343C, GLU344C, GLY63B, HIS347C, ILE274C, ILE291B, ILE337C, ILE338C, ILE362C, ILE363C, ILE366C, ILE58B, LEU40B, LEU47B, LEU61B, LYS335C, LYS358C, LYS41B, LYS45B, MET295B, MET331C, MET342C, PHE286B, PHE288B, PRO332C, SER284B, SER357C, SER364C, SER37B, SER38B, SER39B, SER51B, SER53B, THR329B, THR329C, THR365C, THR368C, THR42B, THR50B, TYR339C, TYR341C, TYR346C, TYR44B, TYR46B, VAL285B, VAL334C, VAL57B
• B-F: GLU191B, GLU191F, GLU64F, LYS138F, PHE192B, SER190B
• C-D: ALA136C, ALA136D, ARG133C, ARG133D, ARG66C, ARG66D, ASN134C, ASN134D, ASN67C, ASN67D, ASP62C, ASP62D, GLN140C, GLN140D, GLU131C, GLU131D, GLU137C, GLU137D, GLU191C, GLU191D, GLU64C, GLU64D, GLY63C, GLY63D, LEU130C, LEU135C, LEU135D, LEU40C, LEU40D, LYS138C, LYS138D, MET65C, PHE132D, PHE192C, PHE192D, SER190C, SER190D, SER37C, SER37D, SER38C, SER38D, SER39C, SER39D, THR141C, TYR139C, TYR139D
• C-F: ALA189C, ARG203C, ARG203F, ARG279C, ARG279F, ARG281C, ARG281F, ASN370F, ASP194C, ASP194F, ASP200C, ASP200F, GLN369F, GLU191C, GLU193C, GLU193F, GLU199C, GLU199F, GLU202F, LEU196C, LEU196F, LEU280C, LYS138C, LYS335F, PRO195C, PRO195F, SER188C, SER190C, SER278C, SER278F, THR201F, THR275C, THR275F, TYR276F, VAL197C, VAL197F
• D-E: ALA328D, ALA328E, ALA333D, ALA333E, ALA336D, ALA55E, ALA56E, ALA60E, ARG360D, ARG367D, ARG52E, ARG66E, ASN282E, ASN287E, ASN330D, ASN330E, ASN48E, ASN67E, ASP327D, ASP327E, ASP62E, CYS43E, CYS70E, GLN283E, GLN340D, GLN361D, GLN369D, GLN49E, GLN59E, GLU343D, GLU344D, GLY63E, HIS347D, ILE274D, ILE291E, ILE337D, ILE337E, ILE338D, ILE362D, ILE363D, ILE366D, ILE58E, LEU40E, LEU47E, LEU61E, LYS335D, LYS41E, LYS45E, MET331D, MET342D, PHE286E, PHE288E, PRO332D, SER284E, SER364D, SER37E, SER38E, SER39E, SER51E, SER53E, THR329D, THR329E, THR365D, THR368D, THR42E, THR50E, TYR339D, TYR341D, TYR346D, TYR44E, TYR46E, VAL285E, VAL334D, VAL57E
• D-F: ALA328D, ALA328F, ALA333F, ALA336F, ALA55D, ALA56D, ALA60D, ARG360F, ARG367F, ARG52D, ARG66D, ASN282D, ASN287D, ASN330D, ASN330F, ASN370F, ASN48D, ASN67D, ASP327D, ASP327F, ASP62D, CYS43D, CYS70D, GLN283D, GLN283F, GLN340F, GLN361F, GLN369F, GLN49D, GLN59D, GLU343F, GLU344F, GLU64D, GLY63D, HIS347F, ILE274F, ILE291D, ILE337F, ILE338F, ILE362F, ILE363F, ILE366F, ILE58D, LEU40D, LEU47D, LEU61D, LYS335F, LYS41D, LYS45D, MET331F, MET342F, PHE286D, PHE288D, PHE54D, PRO332F, SER284D, SER364F, SER37D, SER38D, SER39D, SER51D, SER53D, THR329D, THR329F, THR365F, THR368F, THR42D, TYR339F, TYR341F, TYR346F, TYR44D, TYR46D, VAL285D, VAL334F, VAL57D
• E-F: ALA328E, ALA328F, ALA333E, ALA336E, ALA55F, ALA56F, ALA60F, ARG360E, ARG367E, ARG52F, ARG66F, ASN282F, ASN287F, ASN330E, ASN330F, ASN48F, ASN67F, ASP327E, ASP327F, ASP62F, CYS43F, CYS70F, GLN283F, GLN340E, GLN361E, GLN369E, GLN49F, GLN59F, GLU343E, GLY63F, HIS347E, ILE274E, ILE291F, ILE337E, ILE338E, ILE362E, ILE363E, ILE366E, ILE58F, LEU40F, LEU47F, LEU61F, LYS335E, LYS41F, LYS45F, MET295F, MET331E, MET342E, PHE286F, PHE288F, PHE54F, PRO332E, SER284F, SER364E, SER38F, SER39F, SER51F, SER53F, THR329E, THR329F, THR365E, THR368E, THR42F, THR50F, TYR339E, TYR341E, TYR346E, TYR44F, TYR46F, VAL285F, VAL334E, VAL57F