2HAE

crystal structure of a putative malic enzyme (malate oxidoreductase)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 281
  • Norm. En. per Res.: -4.2362
• 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	-4.7646	-59.603	-128.946	-193.3135	78	8	3	6099	2	32	29
A-C	-62.1296	-9.548	-1060.82	-1132.4977	279	44	47	45882	0	76	73
A-D	-10.556	125.5629	-93.6053	21.4016	62	0	3	3735	6	22	27
B-C	-19.2823	86.9866	-80.8692	-13.1649	62	7	3	3486	6	22	29
B-D	-82.7899	-8.5944	-1098.99	-1190.3743	281	79	51	48013	0	83	73
C-D	-19.0562	-74.6203	-138.199	-231.8754	79	7	3	6715	3	32	33

Interface residues

• A-B: ALA17A, ALA17B, ARG15A, ARG15B, ARG346A, ARG346B, ARG8A, ARG8B, ASN367A, ASN367B, ASP24A, ASP24B, ASP361A, ASP361B, ASP96A, ASP96B, GLU21A, GLU21B, GLU26A, GLU26B, GLU5A, GLU5B, GLY12A, GLY12B, HIS365A, HIS365B, ILE14A, ILE14B, LEU10A, LEU10B, LEU18A, LEU18B, LEU28A, LEU28B, LEU30A, LEU30B, LEU31A, LEU31B, LEU366A, LEU366B, LEU6A, LEU6B, LYS11A, LYS11B, LYS13B, LYS22A, LYS22B, LYS323A, LYS323B, LYS363A, LYS363B, MET362A, MET362B, PHE360A, PHE360B, PHE9A, PHE9B, PRO19A, PRO19B, SER29A, SER29B, SER347A, THR16A, THR16B, THR27A, THR27B, THR370A, THR370B, TYR32A, TYR32B, TYR369A, TYR369B, VAL20A, VAL20B, VAL23A, VAL23B, VAL364A, VAL364B
• A-C: ALA17A, ALA17C, ALA359A, ALA359C, ALA37A, ALA37C, ALA3A, ALA3C, ALA40A, ALA40C, ALA42A, ALA42C, ALA44A, ALA44C, ALA61A, ALA61C, ALA80A, ALA80C, ALA88A, ALA88C, ALA93A, ALA93C, ALA95A, ALA95C, ALA99A, ALA99C, ARG15A, ARG15C, ARG25A, ARG25C, ARG305A, ARG305C, ARG329A, ARG329C, ARG41A, ARG41C, ARG56A, ARG56C, ARG8A, ARG8C, ASN148A, ASN148C, ASN283A, ASN283C, ASN313A, ASN313C, ASN314A, ASN314C, ASN58A, ASN58C, ASN74A, ASN74C, ASP130A, ASP130C, ASP154A, ASP154C, ASP155A, ASP155C, ASP24A, ASP24C, ASP2A, ASP2A5, ASP2C, ASP307A, ASP307C, ASP38A, ASP38C, ASP46A, ASP46C, ASP65A, ASP65C, ASP96A, ASP96C, ASP98A, ASP98C, CB9.1509031.38132, CYS103A, CYS103C, CYS43A, CYS43C, GLN311A, GLN311C, GLU106A, GLU106C, GLU120A, GLU120C, GLU129A, GLU129C, GLU21A, GLU21C, GLU26A, GLU26C, GLU327C, GLU358A, GLU358C, GLU45A, GLU45C, GLU48A, GLU48C, GLU5A, GLU5C, GLU85A, GLU85C, GLY124A, GLY124C, GLY12A, GLY12C, GLY35A, GLY35C, GLY71A, GLY71C, GLY73C, GLY76A, GLY76C, GLY79A, GLY79C, GLY86A, GLY86C, HIS308A, HIS308C, HIS7A, HIS7C, ILE102A, ILE102C, ILE112A, ILE112C, ILE115A, ILE115C, ILE149A, ILE149C, ILE14A, ILE14C, ILE75A, ILE75C, ILE97A, ILE97C, LEU104A, LEU104C, LEU10A, LEU10C, LEU119A, LEU119C, LEU18A, LEU18C, LEU28A, LEU28C, LEU30A, LEU30C, LEU315A, LEU315C, LEU31A, LEU31C, LEU4A, LEU4C, LEU6A, LEU6C, LEU70A, LEU70C, LEU72A, LEU72C, LEU81A, LEU81C, LEU90A, LEU90C, LYS111A, LYS111C, LYS117A, LYS117C, LYS11A, LYS11C, LYS13A, LYS13C, LYS22A, LYS22C, LYS49A, LYS49C, LYS87A, LYS87C, LYS92A, LYS92C, MET147A, MET147C, MET362A, MET362C, MET84A, MET84C, PHE100A, PHE100C, PHE123A, PHE123C, PHE318A, PHE318C, PHE360A, PHE360C, PHE89A, PHE89C, PHE91A, PHE91C, PHE94A, PHE94C, PHE9A, PHE9C, PRO101A, PRO101C, PRO121A, PRO121C, PRO19A, PRO19C, PRO284A, PRO284C, PRO34A, PRO34C, PRO47A, PRO47C, PRO77A, PRO77C, PRO82A, PRO82C, SER105A, SER105C, SER107C, SER114A, SER114C, SER118A, SER118C, SER122A, SER122C, SER29A, SER29C, SER306A, SER306C, SER55A, SER55C, SER64A, SER64C, THR16A, THR16C, THR27A, THR27C, THR33A, THR33C, THR50A, THR50C, THR54A, THR54C, THR59A, THR59C, TRP57A, TRP57C, TYR32A, TYR32C, TYR51A, TYR51C, TYR53A, TYR53C, TYR78A, TYR78C, VAL116A, VAL116C, VAL20A, VAL20C, VAL23A, VAL23C, VAL36A, VAL36C, VAL39A, VAL39C, VAL52A, VAL52C, VAL60A, VAL60C, VAL62A, VAL62C, VAL63A, VAL63C, VAL69A, VAL69C, VAL83A, VAL83C
• A-D: ALA17A, ALA17D, ALA3A, ALA3D, ALA95A, ALA95D, ARG15A, ARG15D, ASN58A, ASN58D, ASP2A, ASP2A5, ASP2D, ASP96A, ASP96D, ASP98A, ASP98D, CB8.5594621.87768, GLU21A, GLU21D, GLU327A, GLU327D, GLU5A, GLU5D, HIS7A, HIS7D, ILE97A, ILE97D, LEU10A, LEU10D, LEU18A, LEU18D, LEU6A, LEU6D, LYS13A, LYS13D, LYS22A, LYS22D, LYS323A, LYS323D, LYS373A, LYS373D, LYS92A, LYS92D, PHE89A, PHE89D, PHE9A, PHE9D, PRO19A, PRO19D, SER55A, SER55D, THR59A, THR59D, TRP57A, TRP57D, TYR369A, TYR369D, VAL20A, VAL20D, VAL23A, VAL23D
• B-C: ALA17B, ALA17C, ALA3B, ALA3C, ARG15B, ARG15C, ARG8C, ASN58B, ASN58C, ASP2B, ASP2C, ASP96B, ASP96C, ASP98B, ASP98C, GLU21B, GLU21C, GLU26C, GLU327B, GLU327C, GLU5B, GLU5C, GLY324C, HIS7B, HIS7C, ILE97B, ILE97C, LEU10B, LEU10C, LEU18B, LEU18C, LEU6B, LEU6C, LYS13B, LYS13C, LYS22B, LYS22C, LYS323B, LYS323C, LYS373B, LYS373C, LYS92B, LYS92C, PHE89B, PHE89C, PHE9B, PHE9C, PRO19B, PRO19C, SER55B, SER55C, THR59B, THR59C, TRP57B, TRP57C, TYR369B, TYR369C, VAL20B, VAL20C, VAL23B, VAL23C, VAL52B
• B-D: ALA17B, ALA17D, ALA359B, ALA359D, ALA37B, ALA37D, ALA3B, ALA3D, ALA40B, ALA40D, ALA42B, ALA42D, ALA44B, ALA44D, ALA61B, ALA61D, ALA80B, ALA80D, ALA88B, ALA88D, ALA93B, ALA93D, ALA95B, ALA95D, ALA99B, ALA99D, ARG15B, ARG15D, ARG25B, ARG25D, ARG305B, ARG305D, ARG329B, ARG329D, ARG41B, ARG41D, ARG56B, ARG56D, ARG8B, ARG8D, ASN148B, ASN148D, ASN283B, ASN283D, ASN313B, ASN313D, ASN314B, ASN314D, ASN58B, ASN58D, ASN74B, ASN74D, ASP130B, ASP130D, ASP154B, ASP154D, ASP155B, ASP155D, ASP24B, ASP24D, ASP2B, ASP2D, ASP307B, ASP307D, ASP38B, ASP38D, ASP46B, ASP46D, ASP65B, ASP65D, ASP96B, ASP96D, ASP98B, ASP98D, CYS103B, CYS103D, CYS43B, CYS43D, GLN311B, GLN311D, GLU106B, GLU106D, GLU120B, GLU120D, GLU129B, GLU129D, GLU21B, GLU21D, GLU26B, GLU26D, GLU358B, GLU358D, GLU45B, GLU45D, GLU48B, GLU48D, GLU5B, GLU5D, GLU85B, GLU85D, GLY124B, GLY124D, GLY12B, GLY12D, GLY304D, GLY35B, GLY35D, GLY71B, GLY71D, GLY73B, GLY73D, GLY76B, GLY76D, GLY79B, GLY79D, GLY86B, GLY86D, HIS308B, HIS308D, HIS365D, HIS7B, HIS7D, ILE102B, ILE102D, ILE112B, ILE112D, ILE115B, ILE115D, ILE149B, ILE149D, ILE14B, ILE14D, ILE75B, ILE75D, ILE97B, ILE97D, LEU104B, LEU104D, LEU10B, LEU10D, LEU119B, LEU119D, LEU18B, LEU18D, LEU28B, LEU28D, LEU30B, LEU30D, LEU315B, LEU315D, LEU31B, LEU31D, LEU4B, LEU4D, LEU6B, LEU6D, LEU70B, LEU70D, LEU72B, LEU72D, LEU81B, LEU81D, LEU90B, LEU90D, LYS111B, LYS111D, LYS117B, LYS117D, LYS11B, LYS11D, LYS13B, LYS13D, LYS22B, LYS22D, LYS49B, LYS49D, LYS87B, LYS87D, LYS92B, LYS92D, MET147B, MET147D, MET362B, MET362D, MET84B, MET84D, PHE100B, PHE100D, PHE123B, PHE123D, PHE318B, PHE318D, PHE360B, PHE360D, PHE89B, PHE89D, PHE91B, PHE91D, PHE94B, PHE94D, PHE9B, PHE9D, PRO101B, PRO101D, PRO121B, PRO121D, PRO19B, PRO19D, PRO284B, PRO284D, PRO309D, PRO34B, PRO34D, PRO47B, PRO47D, PRO77B, PRO77D, PRO82B, PRO82D, SER105B, SER105D, SER107B, SER107D, SER114B, SER114D, SER118B, SER118D, SER122B, SER122D, SER29B, SER29D, SER306B, SER306D, SER55B, SER55D, SER64B, SER64D, THR16B, THR16D, THR27B, THR27D, THR33B, THR33D, THR50B, THR50D, THR54B, THR54D, THR59B, THR59D, TRP57B, TRP57D, TYR32B, TYR32D, TYR51B, TYR51D, TYR53B, TYR53D, TYR78B, TYR78D, VAL116B, VAL116D, VAL20B, VAL20D, VAL23B, VAL23D, VAL36B, VAL36D, VAL39B, VAL39D, VAL52B, VAL52D, VAL60B, VAL60D, VAL62B, VAL62D, VAL63B, VAL63D, VAL69B, VAL69D, VAL83B, VAL83D
• C-D: ALA17C, ALA17D, ARG15C, ARG15D, ARG346C, ARG346D, ARG8C, ARG8D, ASN367C, ASN367D, ASP24C, ASP24D, ASP361C, ASP361D, ASP96C, ASP96D, GLU21C, GLU21D, GLU26C, GLU26D, GLU5C, GLU5D, GLY12C, GLY12D, HIS365C, HIS365D, ILE14C, ILE14D, LEU10C, LEU10D, LEU18C, LEU18D, LEU28C, LEU28D, LEU30C, LEU30D, LEU31C, LEU31D, LEU366C, LEU366D, LEU6D, LYS11C, LYS11D, LYS13C, LYS13D, LYS22C, LYS22D, LYS323C, LYS323D, LYS363C, LYS363D, MET362C, MET362D, PHE360C, PHE360D, PHE9C, PHE9D, PRO19C, PRO19D, SER29C, SER29D, SER347D, THR16C, THR16D, THR27C, THR27D, THR370C, THR370D, TYR32D, TYR369C, TYR369D, VAL20C, VAL20D, VAL23C, VAL23D, VAL364C, VAL364D, VAL368C, VAL368D