3B6A

crystal structure of the streptomyces coelicolor tetr family protein actr in complex with actinorhodin

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 174
  • Norm. En. per Res.: -3.0154
• 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	-33.7355	-80.2397	-410.699	-524.6742	174	15	17	18666	11	34	39
A-C	0.0	0.0	-25.708	-25.708	18	0	0	1130	0	0	0
A-D	0.0	9.4108	-87.4047	-77.9939	71	3	4	4202	0	15	7
A-E	-7.8681	-65.0927	-59.4277	-132.3884	59	5	0	2924	5	34	41
B-D	0.0	0.0	-23.6199	-23.6199	18	0	0	1033	0	0	0
C-D	-34.8042	-79.3477	-403.375	-517.5269	174	14	17	18425	11	34	38
C-G	-7.8001	-33.8779	-58.0536	-99.7316	58	6	0	2878	5	34	41
D-E	0.0	0.0	-0.9711	-0.9711	14	0	0	103	0	11	16
D-F	0.0	0.0	-0.0919	-0.0919	8	0	0	37	0	5	5
E-F	-28.0543	-78.9897	-406.354	-513.3981	175	13	17	18530	11	33	39
G-H	-29.7793	-79.9098	-406.382	-516.0711	175	13	17	18424	11	33	38

Interface residues

• A-B: ALA156A, ALA156B, ALA157A, ALA157B, ALA169A, ALA169B, ALA204A, ALA204B, ALA214A, ALA214B, ALA235A, ALA235B, ALA239A, ALA239B, ALA241A, ALA241B, ARG123A, ARG123B, ARG128A, ARG141A, ARG141B, ARG147A, ARG147B, ARG177A, ARG177B, ARG224A, ARG224B, ARG225A, ARG225B, ASN144A, ASN144B, ASN209A, ASN209B, ASP127A, ASP127B, ASP153A, ASP153B, ASP161A, ASP161B, ASP221A, ASP221B, GLU140A, GLU140B, GLU154A, GLU154B, GLU170A, GLU170B, GLU173A, GLU173B, GLU227A, GLU227B, GLU231A, GLU231B, GLU243A, GLY132A, GLY135A, GLY135B, GLY138A, GLY138B, GLY159A, GLY159B, GLY160A, GLY160B, GLY215A, GLY215B, GLY229A, GLY229B, GLY236A, GLY236B, GLY240A, GLY240B, HIS152A, HIS152B, HIS212A, HIS212B, ILE126A, ILE126B, ILE217A, ILE217B, ILE232A, ILE232B, ILE233A, ILE233B, ILE234A, ILE234B, LEU131A, LEU131B, LEU145A, LEU145B, LEU146A, LEU146B, LEU151A, LEU151B, LEU155A, LEU155B, LEU162A, LEU162B, LEU163A, LEU163B, LEU172A, LEU172B, LEU195A, LEU195B, LEU199A, LEU199B, LEU202A, LEU202B, LEU210A, LEU210B, LEU213A, LEU213B, LEU220B, LEU228A, LEU228B, LEU230A, LEU230B, LEU237A, LEU237B, LEU238A, LEU238B, MET136A, MET136B, MET139A, MET139B, MET143A, MET143B, PHE166A, PHE166B, PHE191A, PHE191B, PHE207A, PHE207B, PHE226A, PHE226B, PRO130A, PRO130B, PRO133A, PRO133B, PRO203A, PRO203B, PRO208A, PRO208B, PRO216A, PRO216B, PRO95A, SER148A, SER148B, SER176B, SER206A, SER206B, SER219A, SER222A, SER222B, THR142A, THR142B, THR165A, THR165B, THR168A, THR168B, THR205A, THR205B, THR218A, THR218B, TYR158A, TYR158B, TYR198A, TYR198B, VAL129A, VAL129B, VAL137A, VAL137B, VAL167A, VAL211A, VAL211B
• A-C: ALA66A, ALA70A, ASN74A, GLY64A, GLY73A, HIS65A, HIS71A, LEU202C, LEU68A, PHE207C, PRO203C, PRO208C, SER201C, SER206C, SER67A, THR205C, TYR198C, TYR69A
• A-D: ALA29A, ALA29D, ALA66A, ALA66D, ALA70A, ALA70D, ARG141A, ARG141D, ARG35A, ARG35D, ASN134A, ASN134D, ASP34A, ASP34D, ASP84A, ASP84D, GLN33A, GLN33D, GLU140A, GLU140D, GLU89A, GLU89D, GLY132A, GLY132D, GLY135A, GLY135D, GLY138A, GLY64A, GLY64D, GLY73D, HIS65A, HIS65D, HIS71A, HIS71D, ILE36A, ILE36D, ILE85A, ILE85D, LEU31A, LEU31D, LEU68A, LEU68D, LEU81A, LEU81D, LEU87A, MET136A, MET136D, MET28A, PRO133A, PRO133D, PRO30A, PRO30D, SER67A, SER67D, THR32A, THR32D, THR63A, THR63D, THR88A, THR88D, TYR69A, TYR69D, VAL137A, VAL137D, VAL37A, VAL37D, VAL38A, VAL38D, VAL72A, VAL72D, VAL86A
• A-E: ALA117A, ALA117E, ALA29A, ALA46A, ARG109E, ARG112E, ARG113A, ARG113E, ARG119A, ARG185A, ARG185E, ARG224E, ARG225E, ARG35A, ARG56A, ARG99E, ASP221E, ASP223E, ASP45A, GLN103E, GLN174A, GLN174E, GLN183A, GLN59A, GLU102E, GLU106E, GLU227E, GLU231E, GLU47A, GLU60A, GLU94E, GLU96E, GLY184A, GLY42A, GLY48A, GLY98E, HIS118A, ILE43A, LEU116A, LEU116E, LEU220E, LEU31A, LEU41A, LEU44A, LEU61A, LYS105E, LYS62A, MET114A, MET28A, PHE115A, PRO30A, PRO93E, PRO95E, PRO97E, SER110E, SER219E, SER222E, THR39A, VAL38A
• B-D: ALA66D, ALA70D, ASN74D, GLY64D, GLY73D, HIS65D, HIS71D, LEU202B, LEU68D, PHE207B, PRO203B, PRO208B, SER201B, SER206B, SER67D, THR205B, TYR198B, TYR69D
• C-D: ALA156C, ALA156D, ALA157C, ALA157D, ALA169C, ALA169D, ALA204C, ALA204D, ALA214C, ALA214D, ALA235C, ALA235D, ALA239C, ALA239D, ALA241C, ALA241D, ARG123C, ARG123D, ARG128C, ARG141C, ARG141D, ARG147C, ARG147D, ARG177C, ARG177D, ARG224C, ARG224D, ARG225C, ARG225D, ASN144C, ASN144D, ASN209C, ASN209D, ASP127C, ASP127D, ASP153C, ASP153D, ASP161C, ASP161D, ASP221C, ASP221D, GLU140C, GLU140D, GLU154C, GLU154D, GLU170C, GLU170D, GLU173C, GLU173D, GLU227C, GLU227D, GLU231C, GLU231D, GLU243C, GLY132C, GLY135C, GLY135D, GLY138C, GLY138D, GLY159C, GLY159D, GLY160C, GLY160D, GLY215C, GLY215D, GLY229C, GLY229D, GLY236C, GLY236D, GLY240C, GLY240D, HIS152C, HIS152D, HIS212C, HIS212D, ILE126C, ILE126D, ILE217C, ILE217D, ILE232C, ILE232D, ILE233C, ILE233D, ILE234C, ILE234D, LEU131C, LEU131D, LEU145C, LEU145D, LEU146C, LEU146D, LEU151C, LEU151D, LEU155C, LEU155D, LEU162C, LEU162D, LEU163C, LEU163D, LEU172C, LEU172D, LEU195C, LEU195D, LEU199C, LEU199D, LEU202C, LEU202D, LEU210C, LEU210D, LEU213C, LEU213D, LEU220D, LEU228C, LEU228D, LEU230C, LEU230D, LEU237C, LEU237D, LEU238C, LEU238D, MET136C, MET136D, MET139C, MET139D, MET143C, MET143D, PHE166C, PHE166D, PHE191C, PHE191D, PHE207C, PHE207D, PHE226C, PHE226D, PRO130C, PRO130D, PRO133C, PRO133D, PRO203C, PRO203D, PRO208C, PRO208D, PRO216C, PRO216D, PRO95C, SER148C, SER148D, SER176D, SER206C, SER206D, SER219C, SER222C, SER222D, THR142C, THR142D, THR165C, THR165D, THR168C, THR168D, THR205C, THR205D, THR218C, THR218D, TYR158C, TYR158D, TYR198C, TYR198D, VAL129C, VAL129D, VAL137C, VAL137D, VAL167C, VAL211C, VAL211D
• C-G: ALA117C, ALA117G, ALA29G, ALA46G, ARG109C, ARG112C, ARG113C, ARG113G, ARG119G, ARG185C, ARG185G, ARG224C, ARG225C, ARG35G, ARG56G, ARG99C, ASP221C, ASP223C, ASP45G, GLN103C, GLN174C, GLN174G, GLN183G, GLN59G, GLU102C, GLU106C, GLU227C, GLU47G, GLU60G, GLU94C, GLU96C, GLY184G, GLY42G, GLY48G, GLY98C, HIS118G, ILE43G, LEU116C, LEU116G, LEU220C, LEU31G, LEU41G, LEU44G, LEU61G, LYS105C, LYS62G, MET114G, MET28G, PHE115G, PRO30G, PRO93C, PRO95C, PRO97C, SER110C, SER219C, SER222C, THR39G, VAL38G
• D-E: ALA117D, ALA46D, ARG113D, ARG224E, ARG35D, ASP193E, GLU186E, GLU91D, GLU96D, GLY189E, HIS196E, HIS212E, LEU220E, LEU228E
• D-F: ALA29D, ARG35D, GLU154F, GLU243F, GLY242F, HIS152F, LYS62D, VAL38D
• E-F: ALA156E, ALA156F, ALA157E, ALA157F, ALA169E, ALA169F, ALA204E, ALA204F, ALA214E, ALA214F, ALA235E, ALA235F, ALA239E, ALA239F, ALA241E, ALA241F, ARG123E, ARG123F, ARG128E, ARG141E, ARG141F, ARG147E, ARG147F, ARG177E, ARG177F, ARG224E, ARG224F, ARG225E, ARG225F, ASN144E, ASN144F, ASN209E, ASN209F, ASP127E, ASP127F, ASP153E, ASP153F, ASP161E, ASP161F, ASP221E, ASP221F, GLU140E, GLU140F, GLU154E, GLU154F, GLU170E, GLU170F, GLU173E, GLU173F, GLU227E, GLU227F, GLU231E, GLU231F, GLU243E, GLY132E, GLY135E, GLY135F, GLY138E, GLY138F, GLY159E, GLY159F, GLY160E, GLY160F, GLY215E, GLY215F, GLY229E, GLY229F, GLY236E, GLY236F, GLY240E, GLY240F, HIS152E, HIS152F, HIS212E, HIS212F, ILE126E, ILE126F, ILE217E, ILE217F, ILE232E, ILE232F, ILE233E, ILE233F, ILE234E, ILE234F, LEU131E, LEU131F, LEU145E, LEU145F, LEU146E, LEU146F, LEU151E, LEU151F, LEU155E, LEU155F, LEU162E, LEU162F, LEU163E, LEU163F, LEU172E, LEU172F, LEU195E, LEU195F, LEU199E, LEU199F, LEU202E, LEU202F, LEU210E, LEU210F, LEU213E, LEU213F, LEU220F, LEU228E, LEU228F, LEU230E, LEU230F, LEU237E, LEU237F, LEU238E, LEU238F, MET136E, MET136F, MET139E, MET139F, MET143E, MET143F, PHE166E, PHE166F, PHE191E, PHE191F, PHE207E, PHE207F, PHE226E, PHE226F, PRO130E, PRO130F, PRO133E, PRO133F, PRO203E, PRO203F, PRO208E, PRO208F, PRO216E, PRO216F, PRO95E, SER148E, SER148F, SER176E, SER176F, SER206E, SER206F, SER219E, SER222E, SER222F, THR142E, THR142F, THR165E, THR165F, THR168E, THR168F, THR205E, THR205F, THR218E, THR218F, TYR158E, TYR158F, TYR198E, TYR198F, VAL129E, VAL129F, VAL137E, VAL137F, VAL167E, VAL211E, VAL211F
• G-H: ALA156G, ALA156H, ALA157G, ALA157H, ALA169G, ALA169H, ALA204G, ALA204H, ALA214G, ALA214H, ALA235G, ALA235H, ALA239G, ALA239H, ALA241G, ALA241H, ARG123G, ARG123H, ARG128G, ARG141G, ARG141H, ARG147G, ARG147H, ARG177G, ARG177H, ARG224G, ARG224H, ARG225G, ARG225H, ASN144G, ASN144H, ASN209G, ASN209H, ASP127G, ASP127H, ASP153G, ASP153H, ASP161G, ASP161H, ASP221G, ASP221H, GLU140G, GLU140H, GLU154G, GLU154H, GLU170G, GLU170H, GLU173G, GLU173H, GLU227G, GLU227H, GLU231G, GLU231H, GLU243G, GLY132G, GLY135G, GLY135H, GLY138G, GLY138H, GLY159G, GLY159H, GLY160G, GLY160H, GLY215G, GLY215H, GLY229G, GLY229H, GLY236G, GLY236H, GLY240G, GLY240H, HIS152G, HIS152H, HIS212G, HIS212H, ILE126G, ILE126H, ILE217G, ILE217H, ILE232G, ILE232H, ILE233G, ILE233H, ILE234G, ILE234H, LEU131G, LEU131H, LEU145G, LEU145H, LEU146G, LEU146H, LEU151G, LEU151H, LEU155G, LEU155H, LEU162G, LEU162H, LEU163G, LEU163H, LEU172G, LEU172H, LEU195G, LEU195H, LEU199G, LEU199H, LEU202G, LEU202H, LEU210G, LEU210H, LEU213G, LEU213H, LEU220H, LEU228G, LEU228H, LEU230G, LEU230H, LEU237G, LEU237H, LEU238G, LEU238H, MET136G, MET136H, MET139G, MET139H, MET143G, MET143H, PHE166G, PHE166H, PHE191G, PHE191H, PHE207G, PHE207H, PHE226G, PHE226H, PRO130G, PRO130H, PRO133G, PRO133H, PRO203G, PRO203H, PRO208G, PRO208H, PRO216G, PRO216H, PRO95G, SER148G, SER148H, SER176G, SER176H, SER206G, SER206H, SER219G, SER222G, SER222H, THR142G, THR142H, THR165G, THR165H, THR168G, THR168H, THR205G, THR205H, THR218G, THR218H, TYR158G, TYR158H, TYR198G, TYR198H, VAL129G, VAL129H, VAL137G, VAL137H, VAL167G, VAL211G, VAL211H