3BP8

crystal structure of mlc/eiib complex

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 78
  • Norm. En. per Res.: -2.8936
• 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	-69.0514	-10.8374	-412.793	-492.6818	173	31	13	18581	0	22	23
A-C	-65.1941	-3.9527	-156.552	-225.6988	78	26	5	7593	0	15	17
B-D	-19.2441	-14.772	-155.0	-189.0161	74	17	5	6849	2	13	16

Interface residues

• A-B: ALA20A, ALA226A, ALA226B, ALA237A, ALA237B, ALA327A, ALA327B, ALA363A, ALA363B, ALA366A, ALA366B, ALA40A, ALA40B, ALA43A, ALA43B, ALA45B, ARG166A, ARG166B, ARG213A, ARG213B, ARG256A, ARG256B, ARG324A, ARG324B, ARG360A, ARG360B, ARG38A, ARG38B, ASN17A, ASN17B, ASN261A, ASN261B, ASN331A, ASN331B, ASN334A, ASN334B, ASN396B, ASP158B, ASP214A, ASP214B, ASP231A, ASP231B, ASP251A, ASP251B, CYS257A, CYS257B, CYS259A, CYS259B, CYS264A, CYS264B, GLN12A, GLN12B, GLN15A, GLN15B, GLN249A, GLN249B, GLN336A, GLN336B, GLN361A, GLN361B, GLN362A, GLN362B, GLN369A, GLN369B, GLN41A, GLN41B, GLU244A, GLU244B, GLY155B, GLY227A, GLY227B, GLY238A, GLY238B, GLY246A, GLY246B, GLY260A, GLY260B, GLY263A, GLY263B, GLY323B, HIS165B, HIS233A, HIS233B, HIS236A, HIS236B, HIS247A, HIS247B, HIS262A, HIS262B, HIS321B, ILE13A, ILE13B, ILE156A, ILE156B, ILE157B, ILE216A, ILE216B, ILE229A, ILE229B, ILE245A, ILE245B, ILE325A, ILE325B, ILE328A, ILE328B, ILE34B, ILE359A, ILE359B, ILE47B, LEU234A, LEU235A, LEU235B, LEU242A, LEU242B, LEU24A, LEU265A, LEU265B, LEU28A, LEU326A, LEU326B, LEU332A, LEU332B, LEU364A, LEU364B, LEU39A, LEU42A, LEU42B, LYS14A, LYS14B, MET329A, MET329B, PHE333A, PHE333B, PRO252A, PRO252B, PRO335A, PRO335B, PRO365A, PRO365B, PRO44A, PRO44B, SER239A, SER239B, SER240A, SER240B, SER241A, SER241B, SER358A, SER358B, SER368A, SER368B, SER37B, SER46A, SER46B, THR159B, THR16A, THR16B, THR230A, THR230B, THR248A, THR248B, TYR258A, TYR258B, TYR367A, TYR367B, VAL228A, VAL228B, VAL243A, VAL243B, VAL250A, VAL250B, VAL330A, VAL330B
• A-C: ALA32C, ALA42C, ALA57A, ALA57C, ALA58C, ALA63C, ALA84A, ARG138A, ARG145A, ARG36C, ARG38C, ARG402A, ASN29C, ASP133A, ASP31C, CYS33C, GLN134A, GLN140A, GLN184A, GLN405A, GLN49C, GLN68C, GLU144A, GLU183A, GLU56A, GLU81A, GLY187A, GLY406A, GLY59C, GLY64C, GLY66C, GLY72C, HIS139A, HIS185A, HIS58A, HIS86A, ILE129A, ILE132A, ILE137A, ILE149A, ILE34C, ILE70C, LEU101A, LEU143A, LEU146A, LEU182A, LEU37C, LEU399A, LEU403A, LEU404A, LEU59A, LEU88A, LYS141A, LYS142A, LYS53C, PHE135A, PHE136A, PHE71C, PRO189A, SER130A, SER148A, SER40C, SER65C, SER75C, THR147A, THR186A, THR28C, THR35C, THR73C, TRP85A, VAL188A, VAL39C, VAL41C, VAL44C, VAL60C, VAL61C, VAL62C, VAL67C
• B-D: ALA57B, ALA57D, ALA58D, ALA63D, ALA69D, ALA84B, ARG138B, ARG145B, ARG36D, ARG38D, ARG402B, ASP133B, ASP31D, CYS33D, GLN134B, GLN140B, GLN184B, GLN405B, GLN49D, GLN68D, GLU144B, GLU183B, GLU56B, GLU81B, GLY187B, GLY406B, GLY56D, GLY59D, GLY64D, GLY66D, GLY72D, HIS185B, HIS58B, HIS86B, ILE132B, ILE137B, ILE34D, ILE401B, ILE70D, LEU101B, LEU143B, LEU146B, LEU37D, LEU399B, LEU403B, LEU404B, LEU55B, LEU59B, LEU88B, LYS141B, LYS142B, LYS53D, PHE135B, PHE136B, PHE71D, PRO189B, SER148B, SER40D, SER65D, SER75D, THR147B, THR186B, THR28D, THR35D, THR73D, TRP85B, VAL188B, VAL39D, VAL41D, VAL44D, VAL60D, VAL61D, VAL62D, VAL67D