1VL6

crystal structure of nad-dependent malic enzyme (tm0542) from thermotoga maritima at 2.61 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 278
  • Norm. En. per Res.: -4.4717
• 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	-111.5305	-19.6309	-1111.98	-1243.1414	278	30	49	46860	0	84	76
A-C	-16.5971	120.2037	-103.411	0.1957	65	2	5	4127	2	27	31
A-D	-14.4882	-67.4986	-110.414	-192.4009	70	2	3	5266	2	30	29
B-C	-33.7697	-102.0656	-104.782	-240.6173	70	5	4	5127	6	30	26
B-D	-6.0681	112.1779	-95.7402	10.3696	67	5	4	3825	2	25	30
C-D	-103.959	4.2935	-1086.56	-1186.2255	268	21	49	44891	0	81	71

Interface residues

• A-B: ALA17A, ALA17B, ALA359A, ALA359B, ALA37A, ALA37B, ALA3A, ALA3B, ALA40A, ALA40B, ALA42A, ALA42B, ALA44A, ALA44B, ALA61A, ALA61B, ALA80A, ALA80B, ALA88A, ALA88B, ALA93A, ALA93B, ALA95A, ALA95B, ALA99A, ALA99B, ARG15A, ARG15B, ARG25A, ARG25B, ARG305A, ARG305B, ARG329A, ARG41A, ARG41B, ARG56A, ARG56B, ARG8A, ARG8B, ASN148A, ASN148B, ASN283A, ASN283B, ASN313A, ASN313B, ASN314A, ASN314B, ASN58A, ASN58B, ASN74A, ASN74B, ASP130A, ASP130B, ASP154A, ASP154B, ASP24A, ASP24B, ASP2A, ASP2B, ASP307A, ASP307B, ASP38A, ASP38B, ASP46A, ASP46B, ASP65A, ASP65B, ASP96A, ASP96B, ASP98A, ASP98B, CYS103A, CYS103B, CYS43A, CYS43B, GLN311A, GLN311B, GLU106A, GLU106B, GLU120A, GLU120B, GLU129A, GLU129B, GLU21A, GLU21B, GLU26A, GLU26B, GLU358A, GLU358B, GLU45A, GLU45B, GLU48A, GLU48B, GLU5A, GLU5B, GLU85A, GLU85B, GLY124A, GLY124B, GLY12A, GLY12B, GLY304A, GLY304B, GLY35A, GLY35B, GLY71A, GLY71B, GLY76A, GLY76B, GLY79A, GLY79B, GLY86A, GLY86B, HIS0A, HIS0B, HIS308A, HIS308B, HIS365A, HIS365B, HIS7A, HIS7B, ILE102A, ILE102B, ILE112A, ILE112B, ILE115A, ILE115B, ILE149A, ILE149B, ILE14A, ILE14B, ILE75A, ILE75B, ILE97A, ILE97B, LEU104A, LEU104B, LEU10A, LEU10B, LEU119A, LEU119B, LEU18A, LEU18B, LEU28A, LEU28B, LEU30A, LEU30B, LEU315A, LEU315B, LEU316B, LEU31A, LEU31B, LEU4A, LEU4B, LEU70A, LEU70B, LEU72A, LEU72B, LEU81A, LEU81B, LEU90A, LEU90B, LYS111A, LYS111B, LYS117A, LYS117B, LYS11A, LYS11B, LYS13A, LYS13B, LYS22A, LYS22B, LYS49A, LYS49B, LYS87A, LYS87B, LYS92A, LYS92B, PHE100A, PHE100B, PHE123A, PHE123B, PHE318A, PHE318B, PHE360A, PHE360B, PHE89A, PHE89B, PHE91A, PHE91B, PHE94A, PHE94B, PHE9A, PHE9B, PRO101A, PRO101B, PRO121A, PRO121B, PRO19A, PRO19B, PRO284A, PRO284B, PRO309B, PRO319B, PRO34A, PRO34B, PRO47A, PRO47B, PRO77A, PRO77B, PRO82A, PRO82B, SER105A, SER105B, SER107A, SER107B, SER114A, SER114B, SER118A, SER118B, SER122A, SER122B, SER29A, SER29B, SER306A, SER306B, SER55A, SER55B, SER64A, SER64B, THR16A, THR16B, THR27A, THR27B, THR33A, THR33B, THR50A, THR50B, THR54A, THR54B, THR59A, THR59B, TRP57A, TRP57B, TYR32A, TYR32B, TYR51A, TYR51B, TYR53A, TYR53B, TYR78A, TYR78B, VAL116A, VAL116B, VAL1A, VAL1B, VAL20A, VAL20B, VAL23A, VAL23B, VAL36A, VAL36B, VAL39A, VAL39B, VAL52A, VAL52B, VAL60A, VAL60B, VAL62A, VAL62B, VAL63A, VAL63B, VAL69A, VAL69B, VAL6A, VAL6B, VAL83A, VAL83B
• A-C: ALA17A, ALA17C, ALA3A, ALA3C, ARG15A, ARG15C, ARG8A, ARG8C, ASN58A, ASN58C, ASP2A, ASP2C, ASP96A, ASP96C, ASP98A, ASP98C, GLU21A, GLU21C, GLU327A, GLU327C, GLU5A, GLU5C, HIS0A, HIS0C, HIS7A, HIS7C, ILE97A, ILE97C, LEU10A, LEU10C, LEU18A, LEU18C, LEU4A, LEU4C, LYS13A, LYS13C, LYS22A, LYS22C, LYS323A, LYS323C, LYS373A, LYS92A, LYS92C, PHE89A, PHE89C, PHE9A, PHE9C, PRO19A, PRO19C, SER55A, SER55C, THR59A, THR59C, TRP57A, TRP57C, TYR369A, TYR369C, VAL1A, VAL1C, VAL20A, VAL20C, VAL23A, VAL23C, VAL6A, VAL6C
• A-D: ALA17A, ALA17D, ALA343A, ARG15A, ARG15D, ARG346A, ARG346D, ARG8A, ARG8D, ASN367A, ASN367D, ASP24A, ASP24D, ASP361A, ASP361D, GLU21A, GLU21D, GLU26A, GLU26D, GLU5A, GLY12A, GLY12D, HIS365A, HIS365D, HIS7D, ILE14A, ILE14D, LEU10A, LEU10D, LEU18A, LEU18D, LEU28A, LEU28D, LEU30A, LEU30D, LEU31A, LEU31D, LEU366A, LEU366D, LYS11A, LYS11D, LYS13A, LYS13D, LYS22A, LYS22D, LYS363A, LYS363D, PHE360A, PHE360D, PHE9A, PHE9D, PRO19A, PRO19D, SER29A, SER347A, SER347D, THR16A, THR16D, THR27A, THR27D, THR370A, THR370D, VAL20A, VAL20D, VAL23A, VAL23D, VAL364A, VAL364D, VAL368D, VAL6A
• B-C: ALA17B, ALA17C, ALA343B, ALA371B, ARG15B, ARG15C, ARG8B, ARG8C, ASN367B, ASN367C, ASP24B, ASP24C, ASP361B, ASP361C, GLU21B, GLU21C, GLU26B, GLU26C, GLU5B, GLY12B, GLY12C, HIS365B, HIS365C, ILE14B, ILE14C, LEU10B, LEU10C, LEU18B, LEU18C, LEU28B, LEU28C, LEU30B, LEU30C, LEU31B, LEU31C, LEU366B, LEU366C, LYS11B, LYS11C, LYS13B, LYS13C, LYS22B, LYS22C, LYS363B, LYS363C, PHE360B, PHE360C, PHE9B, PHE9C, PRO19B, PRO19C, SER29B, SER29C, SER347B, THR16B, THR16C, THR27B, THR27C, THR370B, THR370C, TYR369B, TYR369C, VAL20B, VAL20C, VAL23B, VAL23C, VAL364B, VAL364C, VAL368B, VAL6C
• B-D: ALA17B, ALA17D, ALA3B, ALA3D, ALA95D, ARG15B, ARG15D, ARG329D, ARG8B, ARG8D, ASN58B, ASN58D, ASP2B, ASP2D, ASP96B, ASP96D, ASP98B, ASP98D, GLU21B, GLU21D, GLU327B, GLU327D, GLU5B, GLU5D, HIS0B, HIS0D, HIS7B, HIS7D, ILE97B, ILE97D, LEU10B, LEU10D, LEU18B, LEU18D, LEU4D, LYS13B, LYS13D, LYS22B, LYS22D, LYS323B, LYS323D, LYS92B, LYS92D, PHE89B, PHE89D, PHE9B, PHE9D, PRO19B, PRO19D, SER55B, SER55D, THR59B, THR59D, TRP57B, TRP57D, TYR369B, TYR369D, TYR51D, VAL1B, VAL1D, VAL20B, VAL20D, VAL23B, VAL23D, VAL52D, VAL6B, VAL6D
• C-D: ALA17C, ALA17D, ALA359C, ALA359D, ALA37C, ALA37D, ALA3C, ALA3D, ALA40C, ALA40D, ALA42C, ALA42D, ALA44C, ALA44D, ALA61C, ALA61D, ALA80C, ALA80D, ALA88C, ALA88D, ALA93C, ALA93D, ALA95C, ALA95D, ALA99C, ALA99D, ARG15C, ARG15D, ARG25C, ARG25D, ARG305C, ARG305D, ARG41C, ARG41D, ARG56C, ARG56D, ARG8C, ARG8D, ASN148C, ASN148D, ASN283C, ASN283D, ASN313C, ASN313D, ASN314C, ASN314D, ASN58C, ASN58D, ASN74C, ASN74D, ASP130C, ASP130D, ASP154C, ASP154D, ASP24C, ASP24D, ASP2C, ASP2D, ASP307D, ASP38C, ASP38D, ASP46C, ASP46D, ASP65C, ASP65D, ASP96C, ASP96D, ASP98C, ASP98D, CYS103C, CYS103D, CYS43C, CYS43D, GLN311C, GLN311D, GLU106C, GLU106D, GLU120C, GLU120D, GLU129C, GLU129D, GLU21C, GLU21D, GLU26C, GLU26D, GLU358C, GLU45C, GLU45D, GLU48C, GLU48D, GLU5C, GLU5D, GLU85C, GLU85D, GLY124C, GLY124D, GLY12C, GLY12D, GLY304C, GLY304D, GLY35C, GLY35D, GLY71C, GLY71D, GLY76C, GLY76D, GLY79C, GLY79D, GLY86C, GLY86D, HIS0C, HIS0D, HIS7C, HIS7D, ILE102C, ILE102D, ILE112C, ILE112D, ILE115C, ILE115D, ILE149C, ILE149D, ILE14C, ILE14D, ILE75C, ILE75D, ILE97C, ILE97D, LEU104C, LEU104D, LEU10C, LEU10D, LEU119C, LEU119D, LEU18C, LEU18D, LEU28C, LEU28D, LEU30C, LEU30D, LEU315C, LEU315D, LEU31C, LEU31D, LEU4C, LEU4D, LEU70C, LEU70D, LEU72C, LEU72D, LEU81C, LEU81D, LEU90C, LEU90D, LYS111C, LYS111D, LYS117C, LYS117D, LYS11C, LYS11D, LYS13C, LYS13D, LYS22C, LYS22D, LYS49C, LYS49D, LYS87C, LYS87D, LYS92C, LYS92D, PHE100C, PHE100D, PHE123C, PHE123D, PHE318C, PHE318D, PHE360C, PHE360D, PHE89C, PHE89D, PHE91C, PHE91D, PHE94C, PHE94D, PHE9C, PHE9D, PRO101C, PRO101D, PRO121C, PRO121D, PRO19C, PRO19D, PRO284C, PRO284D, PRO34C, PRO34D, PRO47C, PRO47D, PRO77C, PRO77D, PRO82C, PRO82D, SER105C, SER105D, SER107C, SER107D, SER114C, SER114D, SER118C, SER118D, SER122C, SER122D, SER29C, SER29D, SER306C, SER306D, SER55C, SER55D, SER64C, SER64D, THR16C, THR16D, THR27C, THR27D, THR33C, THR33D, THR50C, THR50D, THR54C, THR54D, THR59C, THR59D, TRP57C, TRP57D, TYR32C, TYR32D, TYR51C, TYR51D, TYR53C, TYR53D, TYR78C, TYR78D, VAL116C, VAL116D, VAL1C, VAL1D, VAL20C, VAL20D, VAL23C, VAL23D, VAL36C, VAL36D, VAL39C, VAL39D, VAL52C, VAL52D, VAL60C, VAL60D, VAL62C, VAL62D, VAL63C, VAL63D, VAL69C, VAL69D, VAL6C, VAL6D, VAL83C, VAL83D