2IFC

the structure of the binary complex of oxalateacetate with citrate synthase from the thermophilic archaeon thermolasma acidophilum

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 336
  • Norm. En. per Res.: -6.503
• Hub Node: A(2)

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	0.0	0.0	-0.0197	-0.0197	5	0	0	13	0	4	0
A-C	-364.0069	-263.1828	-1536.61	-2163.7997	344	54	68	57390	13	83	90
B-C	0.0	0.0	-0.1866	-0.1866	5	0	0	29	0	9	4
B-D	-405.0759	-266.8871	-1513.04	-2185.003	336	71	69	57016	15	76	83

Interface residues

• A-B: ARG87B, ASN144B, GLU4A, GLU5A, PRO146B
• A-C: ALA101A, ALA101C, ALA102A, ALA102C, ALA104A, ALA104C, ALA105A, ALA105C, ALA107A, ALA107C, ALA108A, ALA108C, ALA191A, ALA191C, ALA195A, ALA195C, ALA199A, ALA199C, ALA212A, ALA212C, ALA213A, ALA213C, ALA215A, ALA215C, ALA216A, ALA216C, ALA367A, ALA367C, ALA373A, ALA373C, ALA381A, ALA381C, ALA42A, ALA42C, ALA45A, ALA45C, ALA85A, ALA85C, ALA95A, ALA95C, ALA97A, ALA97C, ARG19A, ARG19C, ARG256A, ARG263A, ARG263C, ARG271A, ARG271C, ARG31A, ARG31C, ARG344A, ARG344C, ARG361A, ARG361C, ARG364A, ARG364C, ARG366A, ARG366C, ARG375A, ARG375C, ARG383A, ARG383C, ARG66A, ARG66C, ARG87A, ARG87C, ARG91A, ARG91C, ASN14A, ASN14C, ASN26A, ASN333A, ASN333C, ASN58A, ASN58C, ASN84A, ASN84C, ASP12A, ASP12C, ASP186A, ASP186C, ASP205A, ASP205C, ASP24A, ASP24C, ASP39A, ASP39C, ASP80A, ASP80C, ASP94A, ASP94C, CB8.9730128.38374, GLN359A, GLN359C, GLN360A, GLN360C, GLN46A, GLN46C, GLN63A, GLN63C, GLN88A, GLN88C, GLN99A, GLN99C, GLU110A, GLU110C, GLU11A, GLU11C, GLU188A, GLU188C, GLU354A, GLU354C, GLU374A, GLU374C, GLU382A, GLU382C, GLU38A, GLU38C, GLU48C, GLU49A, GLU49C, GLU4A, GLU4A5, GLU4C, GLU5A, GLU5C, GLU62A, GLU62C, GLU64A, GLU64C, GLU92A, GLU92C, GLY196A, GLY196C, GLY209A, GLY209C, GLY219A, GLY219C, GLY223A, GLY223C, GLY25A, GLY25C, GLY33A, GLY33C, GLY34A, GLY34C, GLY371A, GLY371C, GLY44A, GLY44C, GLY57A, GLY57C, GLY9A, GLY9C, HIS141A, HIS141C, HIS187A, HIS187C, HIS222A, HIS222C, HIS262A, HIS262C, HIS351A, HIS351C, ILE15A, ILE15C, ILE182A, ILE182C, ILE210A, ILE210C, ILE23A, ILE23C, ILE29A, ILE29C, ILE363A, ILE363C, ILE380A, ILE380C, ILE40A, ILE40C, ILE41A, ILE41C, ILE50A, ILE50C, ILE6A, ILE6C, ILE83A, ILE83C, ILE86A, ILE86C, LEU10A, LEU10C, LEU197A, LEU197C, LEU203A, LEU203C, LEU20A, LEU20C, LEU214A, LEU214C, LEU217A, LEU217C, LEU221A, LEU221C, LEU30A, LEU30C, LEU362A, LEU362C, LEU53A, LEU53C, LEU59A, LEU59C, LEU65A, LEU65C, LEU89A, LEU89C, LYS112A, LYS112C, LYS114C, LYS16A, LYS16C, LYS218A, LYS218C, LYS266A, LYS266C, LYS27C, LYS376A, LYS376C, LYS384C, LYS69A, LYS69C, LYS8A, LYS8C, MET100A, MET100C, MET106A, MET106C, MET206A, MET206C, MET98A, MET98C, PHE113A, PHE113C, PHE81A, PHE81C, PRO190A, PRO190C, PRO220A, PRO220C, PRO365A, PRO365C, PRO372A, PRO372C, PRO379A, PRO379C, PRO60A, PRO60C, PRO79A, PRO79C, PRO90A, PRO90C, SER109A, SER109C, SER192A, SER192C, SER201A, SER201C, SER204A, SER204C, SER208A, SER208C, SER36A, SER36C, SER43A, SER43C, SER7A, SER7C, SER93A, SER93C, THR111A, THR111C, THR18A, THR18C, THR193A, THR193C, THR194A, THR194C, THR202A, THR202C, THR211A, THR211C, THR21A, THR21C, THR22A, THR22C, THR3C, THR61A, THR61C, TRP115A, TRP115C, TRP17A, TRP17C, TYR207A, TYR207C, TYR265A, TYR265C, TYR32A, TYR32C, TYR355A, TYR355C, TYR35A, TYR35C, TYR369A, TYR369C, TYR377A, TYR377C, TYR52A, TYR52C, VAL103A, VAL103C, VAL13A, VAL13C, VAL189A, VAL189C, VAL198A, VAL198C, VAL200A, VAL200C, VAL264A, VAL264C, VAL356A, VAL356C, VAL368A, VAL368C, VAL370A, VAL370C, VAL378A, VAL378C, VAL37C, VAL82A, VAL82C, VAL96A, VAL96C
• B-C: GLU148B, GLU5C, GLY166B, LYS151B, THR3C
• B-D: ALA101B, ALA101D, ALA102B, ALA102D, ALA104B, ALA104D, ALA105B, ALA105D, ALA107B, ALA107D, ALA108B, ALA108D, ALA191B, ALA191D, ALA195B, ALA195D, ALA199B, ALA199D, ALA212B, ALA212D, ALA213B, ALA213D, ALA215B, ALA215D, ALA216B, ALA216D, ALA367B, ALA367D, ALA373B, ALA373D, ALA381B, ALA42B, ALA42D, ALA45B, ALA45D, ALA85B, ALA85D, ALA95B, ALA95D, ALA97B, ALA97D, ARG19B, ARG19D, ARG256B, ARG256D, ARG263B, ARG263D, ARG271B, ARG271D, ARG31B, ARG31D, ARG344B, ARG344D, ARG361B, ARG361D, ARG364B, ARG364D, ARG366B, ARG366D, ARG375B, ARG375D, ARG383B, ARG66B, ARG66D, ARG87B, ARG87D, ARG91B, ARG91D, ASN14B, ASN14D, ASN26B, ASN26D, ASN333B, ASN333D, ASN58B, ASN58D, ASN84B, ASN84D, ASP12B, ASP12D, ASP186B, ASP186D, ASP205B, ASP205D, ASP24B, ASP24D, ASP39B, ASP39D, ASP80B, ASP80D, ASP94B, ASP94D, GLN359B, GLN359D, GLN360B, GLN360D, GLN46B, GLN46D, GLN63B, GLN63D, GLN88B, GLN88D, GLN99B, GLN99D, GLU110B, GLU110D, GLU11B, GLU11D, GLU188B, GLU188D, GLU354B, GLU354D, GLU358D, GLU374B, GLU374D, GLU382B, GLU38B, GLU48B, GLU48D, GLU49B, GLU49D, GLU4B, GLU5B, GLU5D, GLU62B, GLU62D, GLU64B, GLU64D, GLU92B, GLU92D, GLY196B, GLY196D, GLY209B, GLY209D, GLY219B, GLY219D, GLY223B, GLY223D, GLY25B, GLY25D, GLY33B, GLY33D, GLY34B, GLY34D, GLY371B, GLY371D, GLY44B, GLY44D, GLY57B, GLY57D, GLY9B, GLY9D, HIS141D, HIS187B, HIS187D, HIS222B, HIS222D, HIS262B, HIS262D, HIS351B, HIS351D, ILE15B, ILE15D, ILE182B, ILE182D, ILE210B, ILE210D, ILE23B, ILE23D, ILE29B, ILE29D, ILE363B, ILE363D, ILE380B, ILE380D, ILE40B, ILE40D, ILE41B, ILE41D, ILE50B, ILE50D, ILE6B, ILE6D, ILE83B, ILE83D, ILE86B, ILE86D, LEU10B, LEU10D, LEU197B, LEU197D, LEU203B, LEU203D, LEU20B, LEU20D, LEU214B, LEU214D, LEU217B, LEU217D, LEU221B, LEU221D, LEU30B, LEU30D, LEU362B, LEU362D, LEU53B, LEU53D, LEU59B, LEU59D, LEU65B, LEU65D, LEU89B, LEU89D, LYS112B, LYS112D, LYS114B, LYS114D, LYS16B, LYS16D, LYS218B, LYS218D, LYS266B, LYS266D, LYS376B, LYS376D, LYS69B, LYS69D, LYS8B, LYS8D, MET100B, MET100D, MET106B, MET106D, MET206B, MET206D, MET98B, MET98D, PHE113B, PHE113D, PHE81B, PHE81D, PRO190B, PRO190D, PRO220B, PRO220D, PRO365B, PRO365D, PRO372B, PRO372D, PRO379B, PRO379D, PRO60B, PRO60D, PRO79B, PRO79D, PRO90B, PRO90D, SER109B, SER109D, SER192B, SER192D, SER201B, SER201D, SER204B, SER204D, SER208B, SER208D, SER36B, SER36D, SER43B, SER43D, SER7B, SER7D, SER93B, SER93D, THR111B, THR111D, THR18B, THR18D, THR193B, THR193D, THR194B, THR194D, THR202B, THR202D, THR211B, THR211D, THR21B, THR21D, THR22B, THR22D, THR61B, THR61D, TRP115B, TRP115D, TRP17B, TRP17D, TYR207B, TYR207D, TYR265B, TYR265D, TYR32B, TYR32D, TYR355B, TYR355D, TYR35B, TYR35D, TYR369B, TYR369D, TYR377B, TYR377D, TYR52D, VAL103B, VAL103D, VAL13B, VAL13D, VAL189B, VAL189D, VAL198B, VAL198D, VAL200B, VAL200D, VAL264B, VAL264D, VAL356B, VAL356D, VAL368B, VAL368D, VAL370B, VAL370D, VAL378B, VAL378D, VAL82B, VAL82D, VAL96B, VAL96D