2R9E

the structure of the binary complex of citryl dethia coa and citrate synthase from the thermophilic archaeonthermoplasma acidophilum

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 346
  • Norm. En. per Res.: -6.3758
• 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	-354.0889	-269.035	-1557.9	-2181.0239	348	60	70	58296	20	82	89
A-C	0.0	1.9865	-7.7848	-5.7983	27	0	0	715	0	21	17
A-D	0.0	-24.2889	-18.3514	-42.6403	33	0	0	1033	2	26	21
B-C	-2.7709	-18.5349	-14.9996	-36.3054	36	1	0	1040	1	29	30
B-D	0.0	0.0	-0.135	-0.135	4	0	0	31	0	2	2
C-D	-362.3974	-266.7789	-1576.85	-2206.0263	346	54	72	58457	21	77	86

Interface residues

• A-B: ALA101A, ALA101B, ALA102A, ALA102B, ALA104A, ALA104B, ALA105A, ALA105B, ALA107A, ALA107B, ALA108A, ALA108B, ALA191A, ALA191B, ALA195A, ALA195B, ALA199A, ALA199B, ALA212A, ALA212B, ALA213A, ALA213B, ALA215A, ALA215B, ALA216A, ALA216B, ALA225A, ALA225B, ALA367A, ALA367B, ALA373A, ALA373B, ALA381A, ALA381B, ALA42A, ALA42B, ALA45A, ALA45B, ALA85A, ALA85B, ALA95A, ALA95B, ALA97A, ALA97B, ARG19A, ARG19B, ARG256A, ARG256B, ARG263A, ARG263B, ARG271A, ARG271B, ARG31A, ARG31B, ARG344A, ARG344B, ARG361A, ARG361B, ARG364A, ARG364B, ARG366A, ARG366B, ARG375A, ARG375B, ARG383A, ARG383B, ARG66A, ARG66B, ARG87A, ARG87B, ARG91A, ARG91B, ASN14A, ASN14B, ASN26A, ASN26B, ASN333A, ASN333B, ASN334A, ASN334B, ASN58A, ASN58B, ASN84A, ASN84B, ASP12A, ASP12B, ASP186A, ASP186B, ASP205A, ASP205B, ASP24A, ASP24B, ASP39A, ASP39B, ASP80A, ASP80B, ASP94A, ASP94B, GLN359A, GLN359B, GLN360A, GLN360B, GLN46A, GLN46B, GLN63A, GLN63B, GLN88A, GLN88B, GLN99A, GLN99B, GLU110A, GLU110B, GLU11A, GLU11B, GLU188A, GLU188B, GLU354A, GLU354B, GLU374A, GLU374B, GLU382A, GLU382B, GLU38A, GLU38B, GLU48B, GLU49A, GLU49B, GLU4A, GLU5A, GLU5B, GLU62A, GLU62B, GLU64A, GLU64B, GLU92A, GLU92B, GLY196A, GLY196B, GLY209A, GLY209B, GLY219A, GLY219B, GLY223A, GLY223B, GLY224A, GLY224B, GLY25A, GLY25B, GLY33A, GLY33B, GLY34A, GLY34B, GLY371A, GLY371B, GLY44A, GLY44B, GLY57A, GLY57B, GLY9A, GLY9B, HIS141A, HIS141B, HIS187A, HIS187B, HIS222A, HIS222B, HIS262A, HIS262B, HIS351A, HIS351B, ILE15A, ILE15B, ILE182A, ILE182B, ILE210A, ILE210B, ILE23A, ILE23B, ILE29A, ILE29B, ILE363A, ILE363B, ILE380A, ILE380B, ILE40A, ILE40B, ILE41A, ILE41B, ILE50A, ILE50B, ILE6A, ILE6B, ILE83A, ILE83B, ILE86A, ILE86B, LEU10A, LEU10B, LEU197A, LEU197B, LEU203A, LEU203B, LEU20A, LEU20B, LEU214A, LEU214B, LEU217A, LEU217B, LEU221A, LEU221B, LEU30A, LEU30B, LEU362A, LEU362B, LEU53A, LEU53B, LEU59A, LEU59B, LEU65A, LEU65B, LEU89A, LEU89B, LYS112A, LYS16A, LYS16B, LYS218A, LYS218B, LYS266A, LYS266B, LYS376A, LYS376B, LYS69A, LYS69B, LYS8A, LYS8B, MET100A, MET100B, MET106A, MET106B, MET206A, MET206B, MET258A, MET258B, MET98A, MET98B, PHE113A, PHE113B, PHE81A, PHE81B, PRO190A, PRO190B, PRO220A, PRO220B, PRO365A, PRO365B, PRO372A, PRO372B, PRO379A, PRO379B, PRO60A, PRO60B, PRO79A, PRO79B, PRO90A, PRO90B, SER109A, SER109B, SER192A, SER192B, SER201A, SER201B, SER204A, SER204B, SER208A, SER208B, SER36A, SER36B, SER43A, SER43B, SER7A, SER7B, SER93A, SER93B, THR111A, THR111B, THR18A, THR18B, THR193A, THR193B, THR194A, THR194B, THR202A, THR202B, THR211A, THR211B, THR21A, THR21B, THR22A, THR22B, THR3A, THR61A, THR61B, TRP115A, TRP115B, TRP17A, TRP17B, TYR207A, TYR207B, TYR265A, TYR265B, TYR32A, TYR32B, TYR355A, TYR355B, TYR35A, TYR35B, TYR369A, TYR369B, TYR377A, TYR377B, TYR52A, TYR52B, VAL103A, VAL103B, VAL13A, VAL13B, VAL189A, VAL189B, VAL198A, VAL198B, VAL200A, VAL200B, VAL264A, VAL264B, VAL356A, VAL356B, VAL368A, VAL368B, VAL370A, VAL370B, VAL378A, VAL378B, VAL37A, VAL37B, VAL82A, VAL82B, VAL96A, VAL96B
• A-C: ARG130A, ARG130C, ASN116C, ASP118A, ASP118C, ASP122C, GLU110A, GLU110C, GLU126A, GLU126C, GLY75A, ILE78A, LYS112A, LYS112C, LYS114A, LYS114C, LYS67C, LYS74A, LYS74C, LYS77A, PRO79A, THR111A, THR111C, THR119A, THR119C, THR71C, VAL123C
• A-D: ARG66A, ARG91D, ASN162A, ASN247D, ASN249D, ASN252D, ASN333D, ASP154A, ASP234D, ASP248D, ASP80A, GLN73A, GLU158A, GLU235D, GLU62A, GLU70A, GLU92D, GLY253D, LYS151A, LYS237D, LYS244D, LYS254D, LYS255D, LYS67A, LYS69A, LYS77A, MET241D, PRO152A, PRO79A, SER153A, SER155A, SER159A, TRP245D
• B-C: ALA231B, ARG332B, ARG66C, ARG91B, ASN144B, ASN249B, ASN333B, ASP154C, ASP234B, ASP248B, ASP80C, GLN63C, GLU126C, GLU235B, GLU62C, GLU70C, GLU92B, GLY253B, ILE142B, ILE236B, ILE78C, ILE83C, LEU149C, LYS151C, LYS237B, LYS244B, LYS255B, LYS67C, LYS74C, LYS77C, MET143B, MET241B, PRO152C, PRO79C, THR61C, TRP245B
• B-D: ALA381D, ARG383D, ILE380D, LYS244B
• C-D: ALA101C, ALA101D, ALA102C, ALA102D, ALA104C, ALA104D, ALA105C, ALA105D, ALA107C, ALA107D, ALA108C, ALA108D, ALA191C, ALA191D, ALA195C, ALA195D, ALA199C, ALA199D, ALA212C, ALA212D, ALA213C, ALA213D, ALA215C, ALA215D, ALA216C, ALA216D, ALA225C, ALA225D, ALA367C, ALA367D, ALA373C, ALA373D, ALA381C, ALA381D, ALA42C, ALA42D, ALA45C, ALA45D, ALA85C, ALA85D, ALA95C, ALA95D, ALA97C, ALA97D, ARG19C, ARG19D, ARG256C, ARG256D, ARG263C, ARG263D, ARG271C, ARG271D, ARG31C, ARG31D, ARG344C, ARG344D, ARG361C, ARG361D, ARG364C, ARG364D, ARG366C, ARG366D, ARG375C, ARG375D, ARG383C, ARG383D, ARG66C, ARG66D, ARG87C, ARG87D, ARG91C, ARG91D, ASN14C, ASN14D, ASN26C, ASN26D, ASN333C, ASN333D, ASN334C, ASN334D, ASN58C, ASN58D, ASN84C, ASN84D, ASP12C, ASP12D, ASP186C, ASP186D, ASP205C, ASP205D, ASP24C, ASP24D, ASP39C, ASP39D, ASP80C, ASP80D, ASP94C, ASP94D, GLN359C, GLN359D, GLN360C, GLN360D, GLN46C, GLN46D, GLN63C, GLN63D, GLN88C, GLN88D, GLN99C, GLN99D, GLU110C, GLU110D, GLU11C, GLU11D, GLU188C, GLU188D, GLU354C, GLU354D, GLU358D, GLU374C, GLU374D, GLU382C, GLU382D, GLU38D, GLU48C, GLU49C, GLU49D, GLU5C, GLU5D, GLU62C, GLU62D, GLU64C, GLU64D, GLU92C, GLU92D, GLY196C, GLY196D, GLY209C, GLY209D, GLY219C, GLY219D, GLY223C, GLY223D, GLY224C, GLY224D, GLY25C, GLY25D, GLY33C, GLY33D, GLY34C, GLY34D, GLY371C, GLY371D, GLY44C, GLY44D, GLY57C, GLY57D, GLY9C, GLY9D, HIS141C, HIS141D, HIS187C, HIS187D, HIS222C, HIS222D, HIS262C, HIS262D, HIS351C, HIS351D, ILE15C, ILE15D, ILE182C, ILE182D, ILE210C, ILE210D, ILE23C, ILE23D, ILE29C, ILE29D, ILE363C, ILE363D, ILE380C, ILE380D, ILE40C, ILE40D, ILE41C, ILE41D, ILE50C, ILE50D, ILE6C, ILE6D, ILE83C, ILE83D, ILE86C, ILE86D, LEU10C, LEU10D, LEU197C, LEU197D, LEU203C, LEU203D, LEU20C, LEU20D, LEU214C, LEU214D, LEU217C, LEU217D, LEU221C, LEU221D, LEU30C, LEU30D, LEU362C, LEU362D, LEU53C, LEU53D, LEU59C, LEU59D, LEU65C, LEU65D, LEU89C, LEU89D, LYS112C, LYS112D, LYS16C, LYS16D, LYS218C, LYS218D, LYS266C, LYS266D, LYS376C, LYS376D, LYS69C, LYS69D, LYS8C, LYS8D, MET100C, MET100D, MET106C, MET106D, MET206C, MET206D, MET258C, MET258D, MET98C, MET98D, PHE113C, PHE113D, PHE81C, PHE81D, PRO190C, PRO190D, PRO220C, PRO220D, PRO365C, PRO365D, PRO372C, PRO372D, PRO379C, PRO379D, PRO60C, PRO60D, PRO79C, PRO79D, PRO90C, PRO90D, SER109C, SER109D, SER192C, SER192D, SER201C, SER201D, SER204C, SER204D, SER208C, SER208D, SER36C, SER36D, SER43C, SER43D, SER7C, SER7D, SER93C, SER93D, THR111C, THR111D, THR18C, THR18D, THR193C, THR193D, THR194C, THR194D, THR202C, THR202D, THR211C, THR211D, THR21C, THR21D, THR22C, THR22D, THR61C, THR61D, TRP115C, TRP115D, TRP17C, TRP17D, TYR207C, TYR207D, TYR265C, TYR265D, TYR32C, TYR32D, TYR355C, TYR355D, TYR35C, TYR35D, TYR369C, TYR369D, TYR377C, TYR377D, TYR52C, TYR52D, VAL103C, VAL103D, VAL13C, VAL13D, VAL189C, VAL189D, VAL198C, VAL198D, VAL200C, VAL200D, VAL264C, VAL264D, VAL356C, VAL356D, VAL368C, VAL368D, VAL370C, VAL370D, VAL378C, VAL378D, VAL37D, VAL82C, VAL82D, VAL96C, VAL96D