1Z9C

crystal structure of ohrr bound to the ohra promoter: structure of marr family protein with operator dna

• Total interactions analyzed: 66
• Total true interactions: 11
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 168
  • Norm. En. per Res.: -4.1104
• 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	-38.3754	-17.3152	-575.779	-631.4696	156	27	27	27949	2	35	33
A-C	0.0	0.0	-5.5504	-5.5504	20	0	0	440	0	5	8
A-F	0.0	14.8183	-58.9502	-44.1319	45	3	1	2640	1	18	16
B-C	-3.6329	7.7751	-39.3958	-35.2536	24	5	0	1568	0	10	7
B-F	0.0	0.0	-0.0275	-0.0275	2	0	0	18	0	1	1
C-D	-34.6343	-8.7124	-587.308	-630.6548	165	31	24	28844	0	37	37
C-E	0.0	2.2098	-15.8155	-13.6057	17	2	0	629	0	6	6
C-F	0.0	9.0632	-2.0059	7.0573	11	0	0	237	0	8	5
D-E	0.0	8.9614	-25.5623	-16.6009	21	4	0	1355	1	10	10
D-F	0.0	0.0	-0.0005	-0.0005	2	0	0	1	0	1	1
E-F	-50.6937	-15.6148	-624.233	-690.5415	168	33	26	30510	2	43	34

Interface residues

• A-B: ALA111A, ALA135A, ALA135B, ALA20A, ALA20B, ALA45A, ALA45B, ARG23A, ARG23B, ASN12A, ASN12B, ASP113A, ASP128A, ASP128B, ASP67A, ASP67B, GLN124A, GLN124B, GLN131A, GLN131B, GLN13A, GLN13B, GLN145A, GLN28A, GLN28B, GLN42B, GLN63A, GLN63B, GLU109A, GLU11A, GLU11B, GLU127A, GLU127B, GLU141A, GLU141B, GLU24A, GLU24B, GLU51A, GLU51B, GLU62A, GLU62B, GLY120A, GLY120B, GLY126A, GLY126B, GLY61A, GLY61B, HIS144A, HIS144B, ILE114A, ILE114B, ILE118A, ILE118B, LEU107A, LEU10A, LEU10B, LEU119A, LEU119B, LEU121A, LEU121B, LEU129A, LEU129B, LEU132A, LEU132B, LEU136A, LEU136B, LEU139A, LEU139B, LEU140A, LEU140B, LEU143A, LEU143B, LEU14A, LEU14B, LEU17A, LEU17B, LEU18A, LEU18B, LEU33A, LEU33B, LEU36A, LEU44A, LEU44B, LEU46A, LEU46B, LEU47A, LEU47B, LEU48A, LEU48B, LEU49A, LEU49B, LEU64A, LEU64B, LEU66A, LEU66B, LEU71A, LEU71B, LYS108A, LYS110A, LYS123A, LYS123B, LYS130A, LYS130B, LYS133A, LYS133B, LYS27A, LYS27B, LYS9A, LYS9B, MET25A, MET25B, MET60A, MET60B, MET74A, MET74B, MET8B, PHE16A, PHE16B, PRO115A, PRO115B, PRO41A, PRO41B, SER122A, SER122B, SER125A, SER125B, SER134A, SER134B, SER15A, SER15B, SER21A, SER21B, SER22A, SER22B, THR138A, THR138B, THR142A, THR142B, THR26A, THR26B, THR70A, THR70B, TRP50A, TYR137A, TYR137B, TYR19A, TYR19B, TYR29A, TYR29B, TYR40A, TYR40B, TYR43A, TYR43B, TYR65A, TYR65B, VAL112A
• A-C: ALA135A, ASP128A, GLN124C, GLN131A, GLU127A, GLY116C, GLY120C, GLY126A, GLY126C, ILE118C, LEU119C, LEU121C, LEU129A, LYS123C, LYS130A, SER125C, SER134A, THR117C, THR138A, VAL112C
• A-F: ALA111A, ASP113A, ASP113F, ASP128A, ASP128F, GLN124A, GLN131F, GLU109A, GLU109F, GLU127A, GLU127F, GLY116A, GLY116F, GLY120A, GLY120F, GLY126A, GLY126F, ILE114A, ILE114F, ILE118A, ILE118F, LEU119A, LEU119F, LEU121A, LEU121F, LEU129A, LEU129F, LEU132F, LEU32A, LEU32F, LEU36A, LYS110A, LYS123A, LYS123F, LYS130A, LYS130F, LYS133F, LYS35A, PRO115A, PRO115F, SER122F, THR117A, THR117F, VAL112A, VAL112F
• B-C: ASP113C, ASP128B, GLN124B, GLN124C, GLN131B, GLU109C, GLU127B, GLY116C, GLY120C, GLY126B, ILE114C, ILE118C, LEU119C, LEU121C, LEU129B, LEU132B, LEU32C, LYS123B, LYS130B, PRO115C, SER122C, SER125B, THR117C, VAL112C
• B-F: LYS123F, MET8B
• C-D: ALA111C, ALA111D, ALA135C, ALA135D, ALA20C, ALA20D, ALA45C, ALA45D, ARG23C, ARG23D, ASN12C, ASN12D, ASP113C, ASP113D, ASP128C, ASP128D, ASP67C, ASP67D, GLN124C, GLN124D, GLN131C, GLN131D, GLN13C, GLN13D, GLN28C, GLN28D, GLN42D, GLN63C, GLN63D, GLU109C, GLU109D, GLU11C, GLU11D, GLU127C, GLU127D, GLU141C, GLU141D, GLU24C, GLU24D, GLU51C, GLU51D, GLU62C, GLU62D, GLY116C, GLY116D, GLY120C, GLY120D, GLY126D, GLY61C, GLY61D, HIS144C, HIS144D, HIS7C, ILE114C, ILE114D, ILE118C, ILE118D, LEU107C, LEU107D, LEU10C, LEU10D, LEU119C, LEU119D, LEU121C, LEU121D, LEU129C, LEU129D, LEU132C, LEU132D, LEU136C, LEU136D, LEU139C, LEU139D, LEU140C, LEU140D, LEU143C, LEU143D, LEU14C, LEU14D, LEU17C, LEU17D, LEU18C, LEU18D, LEU36C, LEU44C, LEU44D, LEU46C, LEU46D, LEU47C, LEU47D, LEU48C, LEU48D, LEU49C, LEU49D, LEU55C, LEU64C, LEU64D, LEU66C, LEU66D, LEU71C, LEU71D, LYS108C, LYS108D, LYS110C, LYS110D, LYS123C, LYS123D, LYS130C, LYS130D, LYS133C, LYS133D, LYS27C, LYS27D, LYS9C, LYS9D, MET25C, MET25D, MET60C, MET60D, MET74C, MET74D, MET8C, MET8D, PHE16C, PHE16D, PRO115C, PRO115D, PRO41C, PRO41D, SER122C, SER122D, SER125C, SER125D, SER134C, SER134D, SER15C, SER15D, SER21C, SER21D, SER22C, SER22D, THR138C, THR138D, THR142C, THR142D, THR26C, THR26D, THR70C, THR70D, TRP50C, TRP50D, TYR137C, TYR137D, TYR19C, TYR19D, TYR29C, TYR29D, TYR40C, TYR40D, TYR43C, TYR43D, TYR65C, TYR65D, VAL112C, VAL112D
• C-E: ALA135C, ALA135E, ASP128C, ASP128E, GLN131C, GLN131E, GLU127C, GLY126C, LEU129C, LEU132E, LYS123C, LYS130C, LYS130E, LYS133E, SER125C, SER134E, THR138E
• C-F: ASP128C, ASP128F, GLN131F, GLU127C, GLU127F, GLY126C, GLY126F, LYS123C, LYS130F, SER125C, SER134F
• D-E: ALA135D, ASP128D, ASP128E, GLN131D, GLN131E, GLU127D, GLU127E, GLY126D, GLY126E, LEU119E, LEU129D, LEU129E, LEU132D, LEU132E, LYS123D, LYS123E, LYS130D, LYS130E, LYS133D, LYS133E, SER134D
• D-F: ASN12F, GLY126D
• E-F: ALA111E, ALA111F, ALA135E, ALA135F, ALA20E, ALA20F, ALA45E, ALA45F, ARG23E, ARG23F, ASN12E, ASN12F, ASP113E, ASP113F, ASP128E, ASP128F, ASP67E, ASP67F, GLN124E, GLN124F, GLN131E, GLN131F, GLN13E, GLN13F, GLN28E, GLN28F, GLN42E, GLN42F, GLN63E, GLN63F, GLU109E, GLU109F, GLU11E, GLU11F, GLU127E, GLU127F, GLU141E, GLU141F, GLU24E, GLU24F, GLU51E, GLU51F, GLU62E, GLU62F, GLY116E, GLY116F, GLY120E, GLY120F, GLY126E, GLY126F, GLY61E, GLY61F, HIS144E, HIS144F, HIS52E, HIS52F, HIS7F, ILE114E, ILE114F, ILE118E, ILE118F, LEU107E, LEU107F, LEU10E, LEU10F, LEU119E, LEU119F, LEU121E, LEU121F, LEU129E, LEU129F, LEU132E, LEU132F, LEU136E, LEU136F, LEU139E, LEU139F, LEU140E, LEU140F, LEU143E, LEU143F, LEU14E, LEU14F, LEU17E, LEU17F, LEU18E, LEU18F, LEU33E, LEU44E, LEU44F, LEU46E, LEU46F, LEU47E, LEU47F, LEU48E, LEU48F, LEU49E, LEU49F, LEU55E, LEU64E, LEU64F, LEU66E, LEU66F, LEU71E, LEU71F, LYS108E, LYS108F, LYS110F, LYS123E, LYS123F, LYS130E, LYS130F, LYS133E, LYS133F, LYS27E, LYS27F, LYS9E, LYS9F, MET25E, MET25F, MET60E, MET60F, MET74E, MET74F, MET8E, MET8F, PHE16E, PHE16F, PRO115E, PRO115F, PRO41E, PRO41F, SER122E, SER122F, SER125E, SER125F, SER134E, SER134F, SER15E, SER15F, SER21E, SER21F, SER22E, SER22F, THR138E, THR138F, THR142E, THR142F, THR26E, THR26F, THR70E, THR70F, TRP50E, TRP50F, TYR137E, TYR137F, TYR19E, TYR19F, TYR29E, TYR29F, TYR40E, TYR40F, TYR43E, TYR43F, TYR65E, TYR65F, VAL112E, VAL112F