2QL3

crystal structure of the c-terminal domain of a probable lysr family transcriptional regulator from rhodococcus sp. rha1

• Total interactions analyzed: 66
• Total true interactions: 25
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 127
  • Norm. En. per Res.: -4.2605
• 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	-46.0364	-13.4112	-479.095	-538.5427	127	13	9	17303	0	32	24
A-C	-6.5422	-9.7715	-45.2333	-61.547	39	10	2	2540	0	10	13
A-D	-4.1307	-39.9485	-109.599	-153.6782	59	2	0	4310	1	20	23
A-H	0.0	0.0	-0.2394	-0.2394	5	0	0	54	0	2	3
B-C	-2.565	-31.6259	-104.933	-139.1238	58	4	0	4237	1	19	21
B-D	0.0	0.0	-0.8319	-0.8319	9	0	0	155	0	4	1
B-G	0.0	0.0	-0.2167	-0.2167	2	0	0	34	0	1	1
B-J	-9.4202	-28.3841	-69.9814	-107.7858	40	5	1	2908	2	7	8
C-D	-58.0673	-6.2889	-476.722	-541.0782	127	15	10	17177	0	30	24
C-H	-7.9522	-23.6045	-39.4128	-70.9695	32	3	0	1735	0	16	8
E-F	-59.368	-8.3215	-441.277	-508.9665	126	22	9	16467	0	27	22
E-G	0.0	11.698	-40.0003	-28.3023	36	0	3	2115	0	9	8
E-H	0.0	1.5424	-25.8121	-24.2697	39	0	4	1759	0	12	8
F-G	-9.835	-3.6144	-46.5494	-59.9988	35	2	1	1779	0	6	6
F-H	0.0	5.1679	-32.738	-27.5701	34	0	3	1869	0	7	7
F-K	-11.5212	1.5532	-36.3876	-46.3556	24	3	0	1458	3	11	4
G-H	-46.9699	-10.2484	-437.238	-494.4564	128	26	9	16952	0	34	23
G-J	-16.8403	-41.1989	-138.417	-196.4562	54	7	2	5376	2	17	15
G-K	0.0	0.0	-0.0227	-0.0227	6	0	0	6	0	4	4
I-J	-43.9334	-18.4214	-461.702	-524.0568	132	13	9	17201	0	34	25
I-K	-9.6874	-7.931	-55.7157	-73.3341	38	4	2	2621	2	10	13
I-L	-7.6949	-33.2717	-116.511	-157.4776	58	5	0	4502	1	20	25
J-K	-14.1546	-68.7147	-126.894	-209.7632	60	3	0	4827	4	19	24
J-L	0.0	0.0	-1.8065	-1.8065	11	0	0	222	0	4	4
K-L	-63.5904	-11.3643	-464.251	-539.2057	127	17	10	17027	0	28	24

Interface residues

• A-B: ALA110A, ALA110B, ALA122A, ALA122B, ALA125A, ALA125B, ALA228A, ALA228B, ALA232A, ALA232B, ALA237A, ALA237B, ALA239A, ALA239B, ARG135A, ARG135B, ARG141A, ARG141B, ARG173A, ARG230A, ARG230B, ARG238A, ARG238B, ARG243A, ARG243B, ARG253A, ARG253B, ARG255A, ARG255B, ASN233A, ASN233B, ASP137A, ASP137B, ASP257A, ASP257B, CYS107A, CYS107B, GLN252A, GLN252B, GLU133A, GLU133B, GLU136A, GLU136B, GLU182A, GLU182B, GLU235A, GLU235B, GLU261A, GLU261B, GLY112A, GLY112B, GLY242A, GLY242B, GLY244A, GLY244B, GLY246A, GLY246B, GLY262A, GLY262B, ILE115A, ILE115B, LEU111A, LEU111B, LEU116A, LEU116B, LEU120A, LEU120B, LEU205A, LEU205B, LEU245A, LEU245B, LEU250A, LEU250B, LEU263A, LEU263B, PHE123A, PHE123B, PHE134A, PHE134B, PHE234A, PHE234B, PHE240A, PHE240B, PHE297B, PRO109A, PRO109B, PRO113A, PRO113B, PRO117A, PRO117B, PRO254A, PRO254B, PRO264B, SER118A, SER118B, SER131A, SER131B, THR114A, THR114B, THR124A, THR124B, THR231A, THR231B, THR236A, THR236B, THR259A, THR259B, TYR108A, TYR108B, TYR121A, TYR121B, TYR229A, TYR229B, TYR260A, TYR260B, VAL105A, VAL105B, VAL132A, VAL132B, VAL203A, VAL203B, VAL241A, VAL241B, VAL256A, VAL256B, VAL258A, VAL258B
• A-C: ALA198A, ALA198C, ALA221A, ALA221C, ALA224A, ALA224C, ALA228A, ALA228C, ARG219A, ARG219C, ARG226A, ARG226C, ARG230A, ARG230C, ASN212A, ASN212C, ASP206A, ASP206C, ASP216A, ASP216C, CYS218A, CYS218C, GLU199A, GLU199C, GLU220A, GLU220C, GLY222A, GLY222C, LEU204A, LEU204C, PHE223A, PHE223C, PRO201C, PRO225A, PRO225C, THR211A, THR211C, VAL227A, VAL227C
• A-D: ALA100D, ALA104D, ALA130D, ALA288D, ALA294D, ARG129D, ARG135D, ARG141A, ARG143A, ARG292D, ARG295D, ASN140A, ASN212A, ASP137A, ASP152D, ASP160A, GLN139A, GLN145A, GLN145D, GLN286A, GLU133D, GLU147A, GLU147D, GLU150A, GLU150D, GLU164A, GLU287A, GLU287D, GLY101D, GLY148A, GLY148D, GLY149A, GLY149D, HIS285A, ILE103D, LEU142A, LEU146A, LEU146D, LEU151D, LEU159A, LEU161A, LEU290D, PRO102D, PRO163A, PRO208A, SER131D, SER162A, SER291D, THR138A, THR144A, THR144D, THR289D, TRP165A, TYR108A, VAL105D, VAL132D, VAL153D, VAL293D, VAL99D
• A-H: ARG129H, ARG226A, ARG292H, GLU199A, VAL99H
• B-C: ALA100B, ALA104B, ALA130B, ALA288B, ALA294B, ARG129B, ARG135B, ARG141C, ARG143C, ARG292B, ARG295B, ASN140C, ASN212C, ASP137C, ASP152B, ASP160C, GLN139C, GLN145B, GLN145C, GLN286C, GLU133B, GLU147B, GLU147C, GLU150B, GLU150C, GLU164C, GLU287B, GLU287C, GLY101B, GLY148B, GLY148C, GLY149B, GLY149C, HIS285C, ILE103B, LEU142C, LEU146B, LEU146C, LEU151B, LEU159C, LEU161C, LEU290B, PRO102B, PRO163C, PRO208C, SER131B, SER162C, SER291B, THR138C, THR144B, THR144C, THR289B, TRP165C, VAL105B, VAL132B, VAL153B, VAL293B, VAL99B
• B-D: ARG135B, ARG141B, ARG141D, ASP137B, GLN145B, GLU150B, GLU150D, THR144B, THR144D
• B-G: ARG129B, ARG226G
• B-J: ALA195J, ALA221J, ALA271J, ALA276J, ALA279B, ALA294B, ALA296B, ALA303B, ARG193J, ARG295B, ARG299B, ASP158B, ASP189J, ASP196J, GLN166B, GLN286B, GLU174J, GLU220J, GLU272J, GLY190J, ILE270J, ILE298B, LEU170B, LEU290B, LYS274J, PHE297B, PHE300B, PRO169B, PRO191J, PRO269J, PRO273J, PRO275J, SER277J, THR167B, THR302B, TRP284B, VAL168B, VAL281B, VAL282B, VAL301B
• C-D: ALA110C, ALA110D, ALA122C, ALA122D, ALA125C, ALA125D, ALA130C, ALA130D, ALA228C, ALA228D, ALA232C, ALA232D, ALA237C, ALA237D, ALA239C, ALA239D, ARG135C, ARG135D, ARG173C, ARG230C, ARG230D, ARG238C, ARG238D, ARG243C, ARG243D, ARG253C, ARG253D, ARG255C, ARG255D, ASN233C, ASN233D, ASP137C, ASP137D, ASP206D, ASP257C, ASP257D, CYS107C, CYS107D, GLN252C, GLN252D, GLU133C, GLU133D, GLU136C, GLU136D, GLU182C, GLU182D, GLU235C, GLU235D, GLU261C, GLU261D, GLY112C, GLY112D, GLY242C, GLY242D, GLY244C, GLY244D, GLY246C, GLY246D, GLY262C, GLY262D, ILE103D, ILE115C, ILE115D, LEU111C, LEU111D, LEU116C, LEU116D, LEU120C, LEU120D, LEU205C, LEU205D, LEU245C, LEU245D, LEU250C, LEU250D, LEU263C, LEU263D, PHE123C, PHE123D, PHE134C, PHE134D, PHE234C, PHE234D, PHE240C, PHE240D, PRO109C, PRO109D, PRO113C, PRO113D, PRO117C, PRO117D, PRO254C, PRO254D, SER118C, SER118D, SER131C, SER131D, THR114C, THR114D, THR124C, THR124D, THR231C, THR231D, THR236C, THR236D, THR259C, THR259D, TYR108C, TYR108D, TYR121C, TYR121D, TYR229C, TYR229D, TYR260C, TYR260D, VAL105C, VAL105D, VAL132C, VAL132D, VAL203C, VAL203D, VAL241C, VAL241D, VAL256C, VAL256D, VAL258C, VAL258D
• C-H: ALA271C, ALA276C, ALA288H, ALA294H, ALA296H, ARG173C, ARG219C, ARG292H, ARG295H, ARG299H, ASP158C, ASP216C, GLN286H, GLU174C, GLU220C, GLU272C, GLU287H, GLY149H, ILE270C, LEU290H, LYS274C, PRO102H, PRO175C, PRO273C, PRO275C, SER277C, SER291H, THR172C, THR289H, VAL278C, VAL293H, VAL99H
• E-F: ALA110E, ALA110F, ALA122E, ALA122F, ALA125E, ALA125F, ALA130E, ALA130F, ALA228E, ALA228F, ALA232E, ALA232F, ALA237E, ALA237F, ALA239E, ALA239F, ARG135E, ARG135F, ARG173E, ARG230E, ARG230F, ARG238E, ARG238F, ARG243E, ARG243F, ARG253E, ARG253F, ARG255E, ARG255F, ASN233E, ASN233F, ASP137E, ASP137F, ASP257E, ASP257F, CYS107E, CYS107F, GLN252E, GLN252F, GLU133E, GLU133F, GLU136E, GLU136F, GLU182E, GLU182F, GLU235E, GLU235F, GLU261E, GLU261F, GLY112E, GLY112F, GLY242E, GLY242F, GLY244E, GLY244F, GLY246E, GLY246F, GLY262E, GLY262F, ILE115E, ILE115F, LEU111E, LEU111F, LEU116E, LEU116F, LEU120E, LEU120F, LEU205F, LEU245E, LEU245F, LEU250E, LEU250F, LEU263E, LEU263F, PHE123E, PHE123F, PHE134E, PHE134F, PHE234E, PHE234F, PHE240E, PHE240F, PRO109E, PRO109F, PRO113E, PRO113F, PRO117E, PRO117F, PRO254E, PRO254F, PRO264E, PRO264F, SER118E, SER118F, SER131E, SER131F, THR114E, THR114F, THR124E, THR124F, THR231E, THR231F, THR236E, THR236F, THR259E, THR259F, TYR108E, TYR108F, TYR121E, TYR121F, TYR229E, TYR229F, TYR260E, TYR260F, VAL105E, VAL105F, VAL132E, VAL132F, VAL203E, VAL203F, VAL241E, VAL241F, VAL256E, VAL256F, VAL258E, VAL258F
• E-G: ALA181E, ALA181G, ALA186E, ALA186G, ARG243E, ARG243G, ARG253G, ARG255G, ASP257E, ASP257G, GLU182E, GLU182G, GLU261E, GLU261G, GLY180E, GLY187E, GLY187G, GLY242E, GLY242G, GLY262E, GLY262G, LEU263E, LEU263G, PRO264E, PRO264G, THR259E, THR259G, TYR260E, VAL256E, VAL256G, VAL258E, VAL258G, VAL265E, VAL265G, VAL266E, VAL266G
• E-H: ALA181H, ALA186E, ALA186H, ARG238E, ARG253E, ARG253H, ARG255E, ARG255H, ASP189E, ASP189H, ASP257E, ASP257H, GLY187E, GLY187H, GLY190E, GLY190H, GLY262E, GLY262H, LEU179H, LEU263E, LEU263H, LYS268E, LYS268H, PRO264E, PRO264H, THR259E, THR259H, VAL188E, VAL188H, VAL256E, VAL256H, VAL258E, VAL258H, VAL265E, VAL265H, VAL266E, VAL266H, VAL267E, VAL267H
• F-G: ALA122F, ALA122G, ALA125G, ALA181F, ALA303F, ALA303G, ARG173F, ARG253F, ARG253G, ARG255F, ARG255G, ASP189F, ASP189G, ASP257F, ASP257G, GLU126G, GLU182F, GLY187F, GLY187G, PHE300F, PHE300G, PRO254F, PRO254G, SER118F, SER118G, TYR121F, TYR121G, VAL188F, VAL256F, VAL256G, VAL258F, VAL258G, VAL267F, VAL267G, VAL301G
• F-H: ALA181F, ALA181H, ALA186F, ALA186H, ARG243F, ARG243H, ARG253F, ARG255F, ASP257F, ASP257H, GLU182F, GLU182H, GLU261F, GLU261H, GLY180H, GLY187F, GLY187H, GLY242H, GLY262F, GLY262H, LEU263F, LEU263H, PRO264F, PRO264H, THR259F, THR259H, VAL256F, VAL256H, VAL258F, VAL258H, VAL265F, VAL265H, VAL266F, VAL266H
• F-K: ALA100K, ALA271F, ALA276F, ARG292K, ARG295K, ARG299K, GLU174F, GLU220F, GLU272F, ILE270F, LEU290K, LYS274F, PRO102K, PRO169F, PRO175F, PRO273F, PRO275F, SER277F, SER291K, THR172F, THR289K, VAL217F, VAL293K, VAL99K
• G-H: ALA110G, ALA110H, ALA122G, ALA122H, ALA125G, ALA125H, ALA130G, ALA130H, ALA228G, ALA228H, ALA232G, ALA232H, ALA237G, ALA237H, ALA239G, ALA239H, ARG135G, ARG135H, ARG173G, ARG230G, ARG230H, ARG238G, ARG238H, ARG243G, ARG243H, ARG253G, ARG253H, ARG255G, ARG255H, ASN233G, ASN233H, ASP137G, ASP137H, ASP257H, CYS107G, CYS107H, GLN252G, GLN252H, GLU133G, GLU133H, GLU136G, GLU136H, GLU182G, GLU182H, GLU235G, GLU235H, GLU261G, GLU261H, GLY112G, GLY112H, GLY242G, GLY242H, GLY244G, GLY244H, GLY246G, GLY246H, GLY262G, GLY262H, ILE103G, ILE103H, ILE115G, ILE115H, LEU111G, LEU111H, LEU116G, LEU116H, LEU120G, LEU120H, LEU205G, LEU205H, LEU245G, LEU245H, LEU250G, LEU250H, LEU263G, LEU263H, PHE123G, PHE123H, PHE134G, PHE134H, PHE234G, PHE234H, PHE240G, PHE240H, PRO109G, PRO109H, PRO113G, PRO113H, PRO117G, PRO117H, PRO254G, PRO254H, PRO264G, PRO264H, SER118G, SER118H, SER131G, SER131H, THR114G, THR114H, THR124G, THR124H, THR231G, THR231H, THR236G, THR236H, THR259G, THR259H, TYR108G, TYR108H, TYR121G, TYR121H, TYR229G, TYR229H, TYR260G, TYR260H, VAL105G, VAL105H, VAL132G, VAL132H, VAL203G, VAL203H, VAL241G, VAL241H, VAL256G, VAL256H, VAL258G, VAL258H
• G-J: ALA195G, ALA221G, ALA271G, ALA276G, ALA288J, ALA294J, ALA296J, ALA303J, ARG193G, ARG219G, ARG292J, ARG295J, ARG299J, ASP196G, ASP216G, CYS218G, GLN166J, GLN286J, GLU164J, GLU174G, GLU220G, GLU272G, GLU287J, GLY222G, HIS213G, HIS285J, ILE270G, ILE298J, LEU170J, LEU194G, LEU290J, LYS274G, PHE223G, PHE300J, PRO163J, PRO169J, PRO191G, PRO273G, PRO275G, SER162J, SER277G, SER291J, THR167J, THR289J, THR302J, TRP165J, TRP284J, VAL153J, VAL168J, VAL192G, VAL217G, VAL281J, VAL282J, VAL301J
• G-K: GLU147K, GLU272G, GLU287K, GLY148K, SER277G, THR172G
• I-J: ALA110I, ALA110J, ALA122I, ALA122J, ALA125I, ALA125J, ALA130I, ALA130J, ALA228I, ALA228J, ALA232I, ALA232J, ALA237I, ALA237J, ALA239I, ALA239J, ARG135I, ARG135J, ARG141I, ARG230I, ARG230J, ARG238I, ARG238J, ARG243I, ARG243J, ARG253I, ARG253J, ARG255I, ARG255J, ASN233I, ASN233J, ASP137I, ASP137J, ASP206I, ASP206J, ASP257I, ASP257J, CYS107I, CYS107J, GLN252I, GLN252J, GLU133I, GLU133J, GLU136I, GLU136J, GLU182I, GLU182J, GLU235I, GLU235J, GLU261I, GLU261J, GLY112I, GLY112J, GLY242I, GLY242J, GLY244I, GLY244J, GLY246I, GLY246J, GLY262I, GLY262J, ILE103I, ILE103J, ILE115I, ILE115J, LEU111I, LEU111J, LEU116I, LEU116J, LEU120I, LEU120J, LEU204I, LEU205I, LEU205J, LEU245I, LEU245J, LEU250I, LEU250J, LEU263I, LEU263J, PHE123I, PHE123J, PHE134I, PHE134J, PHE234I, PHE234J, PHE240I, PHE240J, PRO109I, PRO109J, PRO113I, PRO113J, PRO117I, PRO117J, PRO254I, PRO254J, PRO264J, SER118I, SER118J, SER131I, SER131J, THR114I, THR114J, THR124I, THR124J, THR138J, THR231I, THR231J, THR236I, THR236J, THR259I, THR259J, TYR108I, TYR108J, TYR121I, TYR121J, TYR229I, TYR229J, TYR260I, TYR260J, VAL105I, VAL105J, VAL132I, VAL132J, VAL203I, VAL203J, VAL241I, VAL241J, VAL256I, VAL256J, VAL258I, VAL258J
• I-K: ALA198I, ALA198K, ALA221I, ALA224I, ALA224K, ALA228I, ARG219I, ARG219K, ARG226I, ARG226K, ARG230I, ARG230K, ASN212I, ASN212K, ASP206K, ASP216I, ASP216K, CYS218I, CYS218K, GLU199I, GLU199K, GLU220I, GLU220K, GLY222I, GLY222K, HIS200I, LEU204I, LEU204K, PHE223I, PHE223K, PRO201I, PRO225I, PRO225K, THR211I, THR211K, VAL217K, VAL227I, VAL227K
• I-L: ALA100L, ALA104L, ALA130L, ALA288L, ALA294L, ARG129L, ARG135I, ARG135L, ARG141I, ARG143I, ARG292L, ARG295L, ASN140I, ASN212I, ASP137I, ASP152L, ASP160I, GLN139I, GLN145I, GLN145L, GLU133L, GLU147I, GLU147L, GLU150I, GLU150L, GLU164I, GLU287I, GLU287L, GLY101L, GLY148I, GLY148L, GLY149I, GLY149L, HIS285I, HIS285L, ILE103L, LEU142I, LEU146I, LEU146L, LEU151L, LEU159I, LEU161I, LEU290L, PRO102L, PRO163I, PRO208I, SER131L, SER162I, SER291L, THR138I, THR144I, THR144L, THR289L, TRP165I, VAL105L, VAL132L, VAL293L, VAL99L
• J-K: ALA100J, ALA104J, ALA130J, ALA288J, ALA294J, ARG129J, ARG135J, ARG135K, ARG141K, ARG143K, ARG292J, ARG295J, ASN140K, ASN212K, ASP137K, ASP152J, ASP160K, GLN139K, GLN145J, GLN145K, GLN166K, GLN286K, GLU133J, GLU147J, GLU147K, GLU150J, GLU150K, GLU164K, GLU287J, GLU287K, GLY101J, GLY148J, GLY148K, GLY149J, GLY149K, HIS285K, ILE103J, LEU142K, LEU146J, LEU146K, LEU151J, LEU159K, LEU161K, LEU290J, PRO102J, PRO163K, PRO208K, SER131J, SER162K, SER291J, THR138K, THR144J, THR144K, THR289J, TRP165K, VAL105J, VAL132J, VAL153J, VAL293J, VAL99J
• J-L: ARG135J, ARG135L, ARG141J, ARG141L, ASP137J, GLN145J, GLN145L, GLU150J, GLU150L, THR144J, THR144L
• K-L: ALA110K, ALA110L, ALA122K, ALA122L, ALA125K, ALA125L, ALA130K, ALA130L, ALA228K, ALA228L, ALA232K, ALA232L, ALA237K, ALA237L, ALA239K, ALA239L, ARG135K, ARG135L, ARG173K, ARG230K, ARG230L, ARG238K, ARG238L, ARG243K, ARG243L, ARG253K, ARG253L, ARG255K, ARG255L, ASN233K, ASN233L, ASP137K, ASP137L, ASP206L, ASP257K, ASP257L, CYS107K, CYS107L, GLN252K, GLN252L, GLU133K, GLU133L, GLU136K, GLU136L, GLU182K, GLU182L, GLU235K, GLU235L, GLU261K, GLU261L, GLY112K, GLY112L, GLY242K, GLY242L, GLY244K, GLY244L, GLY246K, GLY246L, GLY262K, GLY262L, ILE103K, ILE115K, ILE115L, LEU111K, LEU111L, LEU116K, LEU116L, LEU120K, LEU120L, LEU205K, LEU205L, LEU245K, LEU245L, LEU250K, LEU250L, LEU263K, LEU263L, PHE123K, PHE123L, PHE134K, PHE134L, PHE234K, PHE234L, PHE240K, PHE240L, PRO109K, PRO109L, PRO113K, PRO113L, PRO117K, PRO117L, PRO254K, PRO254L, SER118K, SER118L, SER131K, SER131L, THR114K, THR114L, THR124K, THR124L, THR231K, THR231L, THR236K, THR236L, THR259K, THR259L, TYR108K, TYR108L, TYR121K, TYR121L, TYR229K, TYR229L, TYR260K, TYR260L, VAL105K, VAL105L, VAL132K, VAL132L, VAL203K, VAL203L, VAL241K, VAL241L, VAL256K, VAL256L, VAL258K, VAL258L