1YRH

crystal structure of trp repressor binding protein wrba in complex with fmn

• Total interactions analyzed: 28
• Total true interactions: 17
• Strongest Interaction:
  • Chains: F-H
  • Int. Res.: 69
  • Norm. En. per Res.: -4.0157
• Hub Node: B(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	-65.5108	6.8323	-264.602	-323.2804	98	11	6	10408	0	11	9
A-C	-42.0976	20.7734	-219.6	-240.9242	68	3	1	6836	0	1	1
A-D	-41.815	-12.0608	-194.589	-248.4648	95	6	2	7351	0	10	11
B-C	-39.8093	-13.1022	-204.787	-257.6985	96	3	2	7479	0	10	11
B-D	-46.9306	25.6708	-231.845	-253.1048	66	11	1	7061	0	1	1
B-E	0.0	13.5407	-0.5942	12.9464	6	0	0	74	0	0	3
B-H	-16.8307	6.1923	-74.9385	-85.5769	36	5	0	2650	2	13	19
C-D	-57.7044	1.0572	-231.194	-287.8412	94	9	5	9979	0	10	9
C-E	-21.432	15.9583	-74.343	-79.8167	37	4	0	2589	3	13	17
C-H	0.0	0.0	-0.0689	-0.0689	7	0	0	33	0	0	0
D-G	0.0	7.1196	-0.1153	7.0043	2	0	0	15	0	2	3
E-F	-42.564	2.029	-245.327	-285.862	99	12	5	10535	0	11	10
E-G	-54.1889	18.7759	-221.205	-256.618	68	9	1	6866	0	0	1
E-H	-29.2964	-12.4113	-180.745	-222.4527	91	6	2	7123	0	10	11
F-G	-23.2028	-12.5989	-204.696	-240.4976	95	7	2	7658	0	12	12
F-H	-77.9724	20.7016	-219.812	-277.0828	69	17	1	6821	0	2	1
G-H	-57.682	1.034	-254.134	-310.782	98	15	5	10357	0	11	9

Interface residues

• A-B: ALA112A, ALA112B, ALA140A, ALA140B, ALA145A, ALA145B, ALA196A, ALA196B, ARG190A, ARG190B, ASN113A, ASN113B, ASN163A, ASN163B, ASP154A, ASP154B, GLN134A, GLN134B, GLN191A, GLN191B, GLU130A, GLU130B, GLU193A, GLU193B, GLU200A, GLU200B, GLY109A, GLY109B, GLY144A, GLY144B, GLY151A, GLY151B, GLY162A, GLY162B, GLY201A, GLY201B, GLY202A, GLY202B, HIS142A, HIS142B, HIS186A, HIS186B, ILE157A, ILE157B, LEU111A, LEU111B, LEU147A, LEU147B, LEU194A, LEU194B, LEU198A, LEU198B, LEU199A, LEU199B, LYS114A, LYS114B, LYS197A, LYS197B, PHE116A, PHE116B, PHE158A, PHE158B, PRO149A, PRO149B, PRO150A, PRO150B, PRO164A, PRO164B, SER107A, SER107B, SER203A, SER203B, THR115A, THR115B, THR131A, THR131B, THR135A, THR135B, THR139A, THR139B, THR148A, THR148B, THR153A, THR153B, THR195A, THR195B, TRP106A, TRP106B, TRP143A, TRP143B, TYR137A, TYR137B, TYR152A, TYR152B, TYR165A, TYR165B, VAL146A, VAL146B
• A-C: ALA122A, ALA122C, ALA167A, ASN124A, ASN124C, ASN126A, ASN126C, ASN163A, ASN163C, ASP180A, GLN123A, GLN123C, GLN129A, GLN129C, GLN134A, GLN134C, GLU130A, GLU130C, GLY127A, GLY127C, GLY128A, GLY128C, GLY161A, GLY161C, GLY162A, GLY162C, GLY166A, GLY166C, GLY89A, GLY89C, GLY90A, GLY90C, ILE157A, ILE157C, LEU133A, LEU133C, LYS159A, LYS159C, PHE158A, PHE158C, PHE88A, PHE88C, PRO164A, PRO164C, SER160A, SER160C, SER168A, SER168C, THR120A, THR120C, THR131A, THR131C, THR132A, THR132C, THR135A, THR135C, THR170A, THR170C, THR86A, THR86C, TYR152A, TYR152C, TYR165A, TYR165C, VAL125A, VAL125C, VAL169A, VAL169C
• A-D: ALA122A, ALA122D, ALA140A, ALA140D, ALA45A, ALA45D, ALA91A, ALA91D, ALA97A, ALA97D, ARG42A, ARG42D, ARG87A, ARG87D, ARG96A, ARG96D, ASN124A, ASN124D, ASN126A, ASN126D, ASP100A, ASP100D, GLN123A, GLN123D, GLN129A, GLN129D, GLN134A, GLN134D, GLN94A, GLN94D, GLU130A, GLU130D, GLY103A, GLY103D, GLY104A, GLY104D, GLY127A, GLY127D, GLY128A, GLY128D, GLY89A, GLY89D, GLY90A, GLY90D, HIS142A, HIS142D, ILE99A, ILE99D, LEU102A, LEU102D, LEU105A, LEU105D, LEU111A, LEU111D, LEU136A, LEU136D, PHE82A, PHE88A, PHE88D, PHE98A, PHE98D, PRO46A, PRO46D, PRO85D, SER107A, SER107D, SER93A, SER93D, THR101A, THR101D, THR131A, THR131D, THR132A, THR132D, THR135A, THR135D, THR139A, THR139D, THR44A, THR44D, THR86A, THR86D, THR92A, THR92D, TRP106A, TRP106D, TRP143A, TRP143D, TRP56A, TRP56D, TYR12A, TYR12D, TYR137A, VAL49A, VAL49D
• B-C: ALA122B, ALA122C, ALA140B, ALA140C, ALA45B, ALA45C, ALA91B, ALA91C, ALA97B, ALA97C, ARG42B, ARG42C, ARG87B, ARG87C, ARG96B, ARG96C, ASN124B, ASN124C, ASN126B, ASN126C, ASP100B, ASP100C, GLN123B, GLN123C, GLN129B, GLN129C, GLN134B, GLN134C, GLN53C, GLN94B, GLN94C, GLU130B, GLU130C, GLY103B, GLY103C, GLY104B, GLY104C, GLY127B, GLY127C, GLY128B, GLY128C, GLY144B, GLY144C, GLY89B, GLY89C, GLY90B, GLY90C, HIS142B, HIS142C, ILE99B, ILE99C, LEU102B, LEU102C, LEU105B, LEU105C, LEU111B, LEU111C, LEU136B, LEU136C, PHE88B, PHE88C, PHE98B, PHE98C, PRO46B, PRO46C, SER107B, SER107C, SER93B, SER93C, THR101B, THR101C, THR131B, THR131C, THR132B, THR132C, THR135B, THR135C, THR139B, THR139C, THR44B, THR44C, THR86B, THR86C, THR92B, THR92C, TRP106B, TRP106C, TRP143B, TRP143C, TRP56B, TRP56C, TYR12B, TYR12C, TYR137C, VAL49B, VAL49C
• B-D: ALA122B, ALA122D, ASN124B, ASN124D, ASN126B, ASN126D, ASN163B, ASN163D, GLN123B, GLN123D, GLN129B, GLN129D, GLN134B, GLN134D, GLU130B, GLU130D, GLY127B, GLY127D, GLY128B, GLY128D, GLY161B, GLY161D, GLY162B, GLY162D, GLY166B, GLY166D, GLY89B, GLY89D, GLY90B, GLY90D, ILE157B, ILE157D, LEU133B, LEU133D, LYS159B, LYS159D, PHE158B, PHE158D, PHE88B, PHE88D, PRO164B, PRO164D, SER160B, SER160D, SER168B, SER168D, THR120B, THR120D, THR131B, THR131D, THR132B, THR132D, THR135B, THR135D, THR170B, THR170D, THR86B, THR86D, TYR152B, TYR152D, TYR165B, TYR165D, VAL125B, VAL125D, VAL169B, VAL169D
• B-E: ASP48B, ASP48E, PRO46B, PRO46E, VAL49B, VAL49E
• B-H: ALA55B, ALA58B, ALA69H, ALA72H, ALA77H, ARG37H, ARG42H, ASP48B, ASP51B, ASP54B, ASP73H, GLN47B, GLN53B, GLU61B, GLU68H, GLU75H, GLY104H, GLY52B, ILE50B, LEU102H, LEU105H, LEU39H, LEU74H, LYS110H, LYS57B, LYS6H, PHE98H, PRO67H, PRO71H, SER108H, THR101H, THR15B, THR70H, TRP56B, TRP76H, VAL49B
• C-D: ALA112C, ALA112D, ALA140C, ALA140D, ALA145C, ALA145D, ALA196C, ALA196D, ARG190C, ARG190D, ASN113C, ASN113D, ASN163C, ASN163D, GLN134C, GLN134D, GLN191C, GLN191D, GLU130C, GLU130D, GLU193C, GLU193D, GLU200C, GLU200D, GLY109C, GLY109D, GLY144C, GLY144D, GLY151C, GLY151D, GLY162C, GLY162D, GLY201C, GLY201D, GLY202C, GLY202D, HIS142C, HIS142D, HIS186C, HIS186D, ILE157C, LEU111C, LEU111D, LEU147C, LEU147D, LEU194C, LEU194D, LEU198C, LEU198D, LEU199C, LEU199D, LYS114C, LYS114D, LYS197C, LYS197D, PHE116C, PHE116D, PHE158C, PHE158D, PRO149C, PRO149D, PRO150C, PRO150D, PRO164C, PRO164D, SER107C, SER107D, SER203C, SER203D, THR115C, THR115D, THR131D, THR135C, THR135D, THR139C, THR139D, THR148C, THR148D, THR153C, THR153D, THR195C, THR195D, TRP106C, TRP106D, TRP143C, TRP143D, TYR137C, TYR137D, TYR152C, TYR152D, TYR165C, TYR165D, VAL146C, VAL146D
• C-E: ALA55E, ALA58E, ALA69C, ALA72C, ALA77C, ARG37C, ARG42C, ASN172E, ASP48E, ASP51E, ASP54E, ASP73C, GLN123E, GLN47E, GLN53E, GLU68C, GLU75C, GLY104C, GLY173E, GLY52E, ILE50E, LEU102C, LEU105C, LEU39C, LEU74C, LYS110C, LYS57E, LYS6C, PHE98C, PRO67C, PRO71C, THR101C, THR15E, THR70C, TRP56E, TRP76C, VAL49E
• C-H: GLY104C, GLY104H, SER107C, SER107H, SER108C, SER108H, TRP106H
• D-G: GLU155D, GLU155G
• E-F: ALA112E, ALA112F, ALA140E, ALA140F, ALA145E, ALA145F, ALA196E, ALA196F, ARG190E, ARG190F, ASN113E, ASN113F, ASN163E, ASN163F, ASP154E, ASP154F, GLN134E, GLN134F, GLN191E, GLN191F, GLU130E, GLU130F, GLU193E, GLU193F, GLU200E, GLU200F, GLY109E, GLY109F, GLY144E, GLY144F, GLY151E, GLY151F, GLY162E, GLY162F, GLY201E, GLY201F, GLY202F, HIS142E, HIS142F, HIS186E, HIS186F, ILE157E, ILE157F, LEU111E, LEU111F, LEU147E, LEU147F, LEU194E, LEU194F, LEU198E, LEU198F, LEU199E, LEU199F, LYS110E, LYS110F, LYS114E, LYS114F, LYS197E, LYS197F, PHE116E, PHE116F, PHE158E, PHE158F, PRO149E, PRO149F, PRO150E, PRO150F, PRO164E, PRO164F, SER107E, SER107F, SER108F, SER203F, THR115E, THR115F, THR131E, THR131F, THR135E, THR135F, THR139E, THR139F, THR148E, THR148F, THR153E, THR153F, THR195E, THR195F, TRP106E, TRP106F, TRP143E, TRP143F, TYR137E, TYR137F, TYR152E, TYR152F, TYR165E, TYR165F, VAL146E, VAL146F
• E-G: ALA122E, ALA122G, ALA167E, ASN124E, ASN124G, ASN126E, ASN126G, ASN163E, ASN163G, GLN123E, GLN123G, GLN129E, GLN129G, GLN134E, GLN134G, GLU130E, GLU130G, GLY127E, GLY127G, GLY128E, GLY128G, GLY161E, GLY161G, GLY162E, GLY162G, GLY166E, GLY166G, GLY89E, GLY89G, GLY90E, GLY90G, ILE157E, ILE157G, LEU133E, LEU133G, LYS159E, LYS159G, PHE158E, PHE158G, PHE88E, PHE88G, PRO164E, PRO164G, SER121E, SER160E, SER160G, SER168E, SER168G, THR120E, THR120G, THR131E, THR131G, THR132E, THR132G, THR135E, THR135G, THR170E, THR170G, THR86E, THR86G, TYR152E, TYR152G, TYR165E, TYR165G, VAL125E, VAL125G, VAL169E, VAL169G
• E-H: ALA122E, ALA122H, ALA140E, ALA140H, ALA45E, ALA45H, ALA91E, ALA91H, ALA97E, ALA97H, ARG42E, ARG42H, ARG87E, ARG87H, ARG96E, ARG96H, ASN124E, ASN124H, ASN126E, ASN126H, ASP100E, ASP100H, GLN123E, GLN123H, GLN129E, GLN129H, GLN134E, GLN134H, GLN94E, GLN94H, GLY103E, GLY103H, GLY104E, GLY104H, GLY127E, GLY127H, GLY128E, GLY128H, GLY89E, GLY89H, GLY90E, GLY90H, HIS142E, HIS142H, ILE99E, ILE99H, LEU102E, LEU102H, LEU105E, LEU105H, LEU111E, LEU111H, LEU136E, LEU136H, PHE82E, PHE82H, PHE88E, PHE88H, PHE98E, PHE98H, PRO46E, PRO46H, SER107E, SER107H, SER93E, SER93H, THR101E, THR101H, THR131E, THR131H, THR132E, THR132H, THR135E, THR135H, THR139E, THR139H, THR44E, THR44H, THR86E, THR86H, THR92E, THR92H, TRP106E, TRP106H, TRP143E, TRP143H, TRP56E, TRP56H, TYR137E, VAL49E, VAL49H
• F-G: ALA122F, ALA122G, ALA140F, ALA140G, ALA45F, ALA45G, ALA91F, ALA91G, ALA97F, ALA97G, ARG42F, ARG42G, ARG87F, ARG87G, ARG96F, ARG96G, ASN124F, ASN124G, ASN126F, ASN126G, ASP100F, ASP100G, ASP48G, GLN123F, GLN123G, GLN129F, GLN129G, GLN134F, GLN134G, GLN94F, GLN94G, GLU130F, GLY103F, GLY103G, GLY104F, GLY104G, GLY127F, GLY127G, GLY128F, GLY128G, GLY144G, GLY89F, GLY89G, GLY90F, GLY90G, HIS142F, HIS142G, ILE99F, ILE99G, LEU102F, LEU102G, LEU105F, LEU105G, LEU111F, LEU111G, LEU136F, LEU136G, PHE88F, PHE88G, PHE98F, PHE98G, PRO46F, PRO46G, PRO85F, PRO85G, SER107F, SER107G, SER84G, SER93F, SER93G, THR101F, THR101G, THR131F, THR131G, THR132F, THR132G, THR135F, THR135G, THR139F, THR139G, THR44F, THR44G, THR86F, THR86G, THR92F, THR92G, TRP106F, TRP106G, TRP143F, TRP143G, TRP56F, TRP56G, TYR12G, VAL49F, VAL49G
• F-H: ALA122F, ALA122H, ALA167H, ASN124F, ASN124H, ASN126F, ASN126H, ASN163F, ASN163H, GLN123F, GLN123H, GLN129F, GLN129H, GLN134F, GLN134H, GLU130F, GLU130H, GLU155F, GLY127F, GLY127H, GLY128F, GLY128H, GLY161F, GLY161H, GLY162F, GLY162H, GLY166F, GLY166H, GLY89F, GLY89H, GLY90F, GLY90H, ILE157F, ILE157H, LEU133F, LEU133H, LYS159F, LYS159H, PHE158F, PHE158H, PHE88F, PHE88H, PRO164F, PRO164H, SER121H, SER160F, SER160H, SER168F, SER168H, THR120F, THR120H, THR131F, THR131H, THR132F, THR132H, THR135F, THR135H, THR170F, THR170H, THR86F, THR86H, TYR152F, TYR152H, TYR165F, TYR165H, VAL125F, VAL125H, VAL169F, VAL169H
• G-H: ALA112G, ALA112H, ALA140G, ALA140H, ALA145G, ALA145H, ALA196G, ALA196H, ARG190G, ARG190H, ASN113G, ASN113H, ASN163G, ASN163H, ASP154H, GLN134G, GLN134H, GLN191G, GLN191H, GLU130G, GLU130H, GLU193G, GLU193H, GLU200G, GLU200H, GLY109G, GLY109H, GLY144G, GLY144H, GLY151G, GLY151H, GLY162G, GLY162H, GLY201G, GLY201H, GLY202G, GLY202H, HIS142G, HIS142H, HIS186G, HIS186H, ILE157G, ILE157H, LEU111G, LEU111H, LEU147G, LEU147H, LEU194G, LEU194H, LEU198G, LEU198H, LEU199G, LEU199H, LYS114G, LYS114H, LYS197G, LYS197H, PHE116G, PHE116H, PHE158G, PHE158H, PRO149G, PRO149H, PRO150G, PRO150H, PRO164G, PRO164H, SER107G, SER107H, SER108G, SER203G, SER203H, THR115G, THR115H, THR131G, THR131H, THR135G, THR135H, THR139G, THR139H, THR148G, THR148H, THR153G, THR153H, THR195G, THR195H, TRP106G, TRP106H, TRP143G, TRP143H, TYR137G, TYR137H, TYR152G, TYR152H, TYR165G, TYR165H, VAL146G, VAL146H