3FGC

crystal structure of the bacterial luciferase:flavin complex reveals the basis of intersubunit communication

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 211
  • Norm. En. per Res.: -4.05
• 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	-65.5294	1.4729	-755.064	-819.1205	216	22	17	27196	5	55	63
A-D	-17.72	-14.4836	-80.8149	-113.0185	70	7	0	3844	1	37	47
B-D	-7.5438	-10.9107	-3.0471	-21.5015	8	0	0	200	1	5	5
C-D	-94.5594	-0.5389	-759.446	-854.5444	211	24	18	27662	6	57	64

Interface residues

• A-B: ALA112B, ALA145A, ALA146A, ALA162A, ALA162B, ALA54B, ALA58A, ALA59A, ALA59B, ALA60A, ALA65A, ALA81A, ALA87A, ALA87B, ALA90B, ARG100A, ARG100B, ARG115A, ARG115B, ARG119B, ARG23A, ARG85A, ARG85B, ASN118B, ASN12B, ASN147B, ASN148B, ASN159A, ASN159B, ASN26A, ASN273A, ASN44B, ASN48B, ASN49B, ASN54A, ASN91A, ASN9B, ASP113A, ASP113B, ASP122B, ASP149B, ASP18B, ASP262A, ASP263A, ASP265A, ASP26B, ASP271A, ASP89A, ASP94A, ASP94B, CYS131B, CYS144B, CYS91B, GLN11A, GLN157A, GLN17A, GLN19B, GLN266A, GLN276A, GLN86A, GLN95A, GLN95B, GLU130B, GLU19A, GLU22B, GLU43A, GLU43B, GLU48A, GLU67A, GLU88A, GLU88B, GLU89B, GLU98B, GLY118A, GLY142A, GLY142B, GLY269A, GLY275A, GLY50A, GLY50B, GLY53A, GLY53B, GLY60B, GLY64A, GLY64B, HIS145B, HIS150A, HIS161B, HIS44A, HIS45A, HIS45B, HIS61A, HIS76B, HIS81B, HIS82A, HIS82B, ILE134B, ILE144A, ILE151A, ILE156A, ILE156B, ILE21B, ILE260A, ILE76A, ILE78B, LEU127B, LEU134A, LEU158A, LEU24A, LEU25B, LEU41A, LEU51A, LEU52A, LEU56B, LEU62A, LEU62B, LEU63A, LEU63B, LEU78A, LEU92A, LEU92B, LEU93A, LEU93B, LYS110B, LYS112A, LYS152A, LYS155A, LYS155B, LYS22A, LYS268A, LYS274A, LYS29A, LYS98A, MET114B, MET11B, MET21A, MET24B, MET65B, MET96A, MET96B, PHE101A, PHE101B, PHE10B, PHE114A, PHE116B, PHE117A, PHE117B, PHE150B, PHE153A, PHE153B, PHE163B, PHE261A, PHE272A, PHE46A, PHE46B, PHE49A, PHE61B, PRO120B, PRO146B, PRO154A, PRO154B, PRO160A, PRO160B, PRO55A, PRO55B, PRO79A, PRO83A, PRO83B, SER123B, SER152B, SER157B, SER161A, SER16A, SER16B, SER17B, SER264A, SER47B, SER97A, SER97B, THR119A, THR121B, THR164A, THR164B, THR18A, THR267A, THR47A, THR57B, THR66A, THR66B, THR79B, THR80A, THR80B, THR9A, TYR143A, TYR143B, TYR151B, TYR163A, TYR270A, TYR56A, VAL116A, VAL158B, VAL20A, VAL20B, VAL25A, VAL41B, VAL51B, VAL52B, VAL57A, VAL58B, VAL71B, VAL77A, VAL77B, VAL84A, VAL84B, VAL86B, VAL90A
• A-D: ALA199D, ALA286D, ARG201D, ARG238A, ARG240D, ARG244A, ARG244D, ARG284D, ARG290A, ARG291A, ASN198D, ASN237A, ASN245A, ASN256A, ASN257D, ASP241A, ASP252A, ASP259D, ASP262A, ASP263A, ASP293A, CYS289D, CYS290D, GLN11A, GLN17A, GLN200D, GLN262D, GLN281D, GLU14A, GLU19A, GLU203D, GLU237D, GLU261D, GLU266D, GLU270D, GLU277D, GLU278D, GLU288D, GLU335A, GLU48A, GLY248A, GLY265D, HIS249A, ILE242A, ILE260A, ILE287D, ILE292A, LEU15A, LEU247A, LEU267D, LEU268D, LEU51A, LYS177D, LYS202D, LYS263D, MET264D, PRO12A, PRO13A, SER16A, SER197D, SER253A, SER256D, SER269D, THR258D, TYR10A, TYR251A, TYR294A, VAL20A, VAL255A, VAL285D
• B-D: ALA214D, GLN213D, GLU210D, GLY206D, LEU207D, LYS155B, THR141B, TYR143B
• C-D: ALA112D, ALA145C, ALA146C, ALA162C, ALA162D, ALA54D, ALA58C, ALA59C, ALA59D, ALA60C, ALA65C, ALA81C, ALA87C, ALA87D, ALA90D, ARG100C, ARG100D, ARG115C, ARG115D, ARG119D, ARG23C, ARG278C, ARG85C, ARG85D, ASN118D, ASN12D, ASN147D, ASN148D, ASN159C, ASN159D, ASN26C, ASN273C, ASN44D, ASN48D, ASN49D, ASN54C, ASN91C, ASN9D, ASP113C, ASP113D, ASP149D, ASP18D, ASP262C, ASP263C, ASP265C, ASP271C, ASP89C, ASP94C, ASP94D, CYS131D, CYS144D, CYS91D, GLN11C, GLN157C, GLN17C, GLN19D, GLN266C, GLN276C, GLN86C, GLN95C, GLN95D, GLU19C, GLU22D, GLU43C, GLU43D, GLU48C, GLU67C, GLU88C, GLU88D, GLU89D, GLU98D, GLY118C, GLY142C, GLY142D, GLY269C, GLY275C, GLY50C, GLY50D, GLY53C, GLY53D, GLY60D, GLY64C, GLY64D, HIS145D, HIS150C, HIS161D, HIS44C, HIS45C, HIS45D, HIS61C, HIS76D, HIS81D, HIS82C, HIS82D, ILE134D, ILE144C, ILE151C, ILE156C, ILE156D, ILE21D, ILE260C, ILE76C, ILE78D, LEU127D, LEU134C, LEU158C, LEU24C, LEU25D, LEU41C, LEU51C, LEU52C, LEU56D, LEU62C, LEU62D, LEU63C, LEU63D, LEU78C, LEU92C, LEU92D, LEU93C, LEU93D, LYS112C, LYS152C, LYS155C, LYS155D, LYS22C, LYS268C, LYS274C, LYS29C, LYS67D, LYS98C, MET114D, MET11D, MET21C, MET24D, MET65D, MET96C, MET96D, PHE101C, PHE10D, PHE114C, PHE116D, PHE117C, PHE117D, PHE150D, PHE153C, PHE153D, PHE163D, PHE261C, PHE272C, PHE280C, PHE46C, PHE46D, PHE49C, PHE61D, PRO120D, PRO146D, PRO154C, PRO154D, PRO160C, PRO160D, PRO55C, PRO55D, PRO79C, PRO83C, PRO83D, SER152D, SER157D, SER161C, SER16C, SER16D, SER17D, SER264C, SER47D, SER97C, SER97D, THR119C, THR18C, THR267C, THR47C, THR57D, THR66C, THR66D, THR79D, THR80C, THR80D, THR9C, TRP277C, TYR143C, TYR143D, TYR151D, TYR163C, TYR270C, TYR56C, VAL116C, VAL158D, VAL20C, VAL20D, VAL25C, VAL41D, VAL51D, VAL52D, VAL57C, VAL58D, VAL71D, VAL77C, VAL77D, VAL84C, VAL84D, VAL86D, VAL90C