3TJI

crystal structure of an enolase from enterobacter sp. 638 (efi target efi-501662) with bound mg

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 207
  • Norm. En. per Res.: -4.4433
• 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	-74.3791	-48.0163	-325.257	-447.6523	127	20	0	11323	4	31	26
A-C	-78.067	-68.2188	-743.734	-890.0197	205	19	9	27502	12	38	32
A-D	-98.8011	-29.8273	-395.585	-524.2134	139	8	6	15053	0	32	33
B-D	-84.0207	-81.6681	-754.074	-919.7628	207	16	9	27824	16	38	32
C-D	-81.8963	-44.4396	-331.314	-457.6499	126	18	0	11463	3	32	27

Interface residues

• A-B: ALA120A, ALA123A, ALA166B, ALA215B, ALA219B, ALA240B, ALA299A, ALA330A, ALA331A, ARG118A, ARG148A, ARG193A, ARG246A, ARG272A, ARG273A, ARG273B, ARG303A, ARG390B, ASN169B, ASN271A, ASN324A, ASN329A, ASP119A, ASP168B, ASP177B, ASP275A, ASP393B, CYS250A, CYS297A, GLN145A, GLN178B, GLN179B, GLN213B, GLN214B, GLN217B, GLN221B, GLN226A, GLN237B, GLN238B, GLN244A, GLN244B, GLN247A, GLN247B, GLN248A, GLN248B, GLN298A, GLU180B, GLU223A, GLU243A, GLU243B, GLU354A, GLY146A, GLY197A, GLY301A, GLY355A, GLY394B, HIS149A, HIS165B, HIS201A, HIS328A, HIS397B, ILE121A, ILE202A, ILE230A, ILE269A, ILE274A, ILE325A, ILE332A, ILE396B, LEU164B, LEU200A, LEU210B, LEU218B, LEU234B, LEU242B, LEU253A, LEU268A, LEU327A, LEU391B, LYS116A, LYS199A, LYS220A, LYS220B, LYS353A, MET182B, PHE211B, PHE225A, PHE229A, PHE276A, PHE300A, PHE356A, PRO122A, PRO161B, PRO167B, PRO170B, PRO172B, PRO212B, PRO224A, PRO227A, PRO235B, PRO252A, PRO359A, PRO392B, SER117A, SER183B, SER239B, SER249A, SER249B, SER389B, THR171B, THR395B, THR398B, TRP175B, TRP198A, TRP241B, TYR147A, TYR228A, TYR358A, VAL186B, VAL216B, VAL245A, VAL245B, VAL251A, VAL270A, VAL302A, VAL352A, VAL357A
• A-C: ALA240A, ALA240C, ALA263A, ALA263C, ALA46A, ALA46C, ALA78A, ALA78C, ALA89A, ALA89C, ARG278A, ARG278C, ARG382A, ARG382C, ARG390A, ARG390C, ARG43A, ARG43C, ARG62A, ARG62C, ARG81A, ARG81C, ASN20A, ASN20C, ASN260A, ASN260C, ASN261A, ASN261C, ASN271C, ASN66A, ASN66C, ASN75A, ASN75C, ASN77A, ASN77C, ASN82A, ASN82C, ASN87A, ASN87C, ASN88A, ASN88C, ASP205A, ASP205C, ASP232A, ASP232C, ASP267A, ASP267C, ASP311A, ASP311C, ASP52A, ASP52C, ASP63A, ASP63C, ASP69A, ASP69C, CYS279A, CYS279C, GLN237A, GLN237C, GLN238A, GLN283A, GLN283C, GLN388A, GLN388C, GLN41A, GLN41C, GLN42A, GLN42C, GLN56A, GLN56C, GLN72A, GLN72C, GLU208A, GLU208C, GLU231A, GLU231C, GLU257A, GLU257C, GLU264A, GLU264C, GLU385A, GLU385C, GLU53A, GLU53C, GLU68A, GLU68C, GLY173A, GLY173C, GLY256A, GLY256C, GLY394A, GLY394C, GLY83A, GLY83C, HIS207A, HIS207C, HIS266A, HIS266C, HIS280A, HIS280C, HIS307A, HIS307C, HIS384A, HIS384C, HIS397A, HIS397C, ILE13A, ILE13C, ILE396A, ILE396C, ILE90A, ILE90C, LEU234A, LEU258A, LEU258C, LEU380A, LEU380C, LEU45A, LEU45C, LEU50A, LEU50C, LEU55A, LEU55C, LEU58A, LEU58C, LEU70A, LEU70C, LEU85A, LEU85C, LYS48A, LYS48C, MET312A, MET312C, MET59A, MET59C, MET73A, MET73C, MET74A, MET74C, MET86A, MET86C, PHE259A, PHE259C, PHE40A, PHE40C, PRO172A, PRO172C, PRO235A, PRO235C, PRO236A, PRO236C, PRO262A, PRO262C, PRO309A, PRO309C, PRO383A, PRO383C, PRO399A, PRO399C, PRO44A, PRO44C, PRO57A, PRO57C, PRO84A, PRO84C, SER239A, SER239C, SER282A, SER389A, SER389C, THR171A, THR171C, THR387A, THR387C, THR395A, THR395C, THR398A, THR398C, THR39A, THR39C, THR49A, THR49C, TRP265A, TRP265C, TRP386A, TRP386C, TRP71A, TRP71C, TRP80A, TRP80C, TYR381A, TYR381C, TYR54A, TYR54C, TYR79A, TYR79C, VAL22C, VAL379A, VAL379C, VAL47A, VAL47C, VAL51A, VAL51C, VAL76A, VAL76C
• A-D: ALA105A, ALA105D, ALA294A, ALA294D, ALA299A, ALA299D, ALA64A, ALA64D, ARG118A, ARG118D, ARG272A, ARG272D, ASN271A, ASN271D, ASN329A, ASN329D, ASN65A, ASN65D, ASN66A, ASN66D, ASN75D, ASP119A, ASP119D, ASP267A, ASP267D, ASP63A, ASP63D, ASP69A, ASP69D, CYS297A, CYS297D, GLN103A, GLN103D, GLN111A, GLN111D, GLN298A, GLN298D, GLN362A, GLN362D, GLN72A, GLN72D, GLU68A, GLU68D, GLY102A, GLY102D, GLY106A, GLY106D, GLY114A, GLY114D, GLY115A, GLY115D, GLY301A, GLY301D, HIS266A, HIS266D, HIS295A, HIS295D, HIS326A, HIS326D, HIS328A, HIS328D, ILE100A, ILE100D, ILE269A, ILE269D, ILE287D, ILE325A, ILE325D, ILE67A, ILE67D, LEU104A, LEU104D, LEU109A, LEU109D, LEU112A, LEU112D, LEU291A, LEU291D, LEU293A, LEU293D, LEU296A, LEU296D, LEU327A, LEU327D, LEU70A, LEU70D, LEU97A, LYS101A, LYS101D, LYS116A, LYS116D, LYS292A, LYS292D, MET107A, MET107D, MET1A, MET1D, MET73A, MET73D, PHE113A, PHE113D, PHE300A, PHE300D, PRO108A, PRO108D, PRO262A, PRO262D, PRO289A, PRO289D, PRO359A, PRO359D, PRO360A, PRO360D, PRO363A, PRO363D, PRO3A, PRO3D, SER117A, SER117D, THR288A, THR288D, THR2A, THR2D, TRP265A, TRP265D, TRP71A, TRP71D, TRP98A, TRP98D, TYR110A, TYR110D, VAL270A, VAL270D, VAL361A, VAL361D, VAL4A, VAL4D, VAL76A, VAL76D
• B-D: ALA240B, ALA240D, ALA263B, ALA263D, ALA46B, ALA46D, ALA78B, ALA78D, ALA89B, ALA89D, ARG278B, ARG278D, ARG382B, ARG382D, ARG390B, ARG390D, ARG43B, ARG43D, ARG62B, ARG62D, ARG81B, ARG81D, ASN20B, ASN20D, ASN260B, ASN260D, ASN261B, ASN261D, ASN271B, ASN66B, ASN66D, ASN75B, ASN75D, ASN77B, ASN77D, ASN82B, ASN82D, ASN87B, ASN87D, ASN88B, ASN88D, ASP205B, ASP205D, ASP232B, ASP232D, ASP267B, ASP267D, ASP311B, ASP311D, ASP52B, ASP52D, ASP63B, ASP63D, ASP69B, ASP69D, CYS279B, CYS279D, GLN237B, GLN237D, GLN238B, GLN238D, GLN283B, GLN283D, GLN388B, GLN388D, GLN41B, GLN41D, GLN42B, GLN42D, GLN56B, GLN56D, GLN72B, GLN72D, GLU208B, GLU208D, GLU231B, GLU231D, GLU257B, GLU257D, GLU264B, GLU264D, GLU385B, GLU385D, GLU53B, GLU53D, GLU68B, GLU68D, GLY173B, GLY173D, GLY256B, GLY256D, GLY394B, GLY394D, GLY83B, GLY83D, HIS207B, HIS207D, HIS266B, HIS266D, HIS280B, HIS280D, HIS307B, HIS307D, HIS384B, HIS384D, HIS397B, HIS397D, ILE13B, ILE13D, ILE396B, ILE396D, ILE90B, ILE90D, LEU234B, LEU234D, LEU258B, LEU258D, LEU380B, LEU380D, LEU45B, LEU45D, LEU50B, LEU50D, LEU55B, LEU55D, LEU58B, LEU58D, LEU70B, LEU70D, LEU85B, LEU85D, LYS48B, LYS48D, MET312B, MET312D, MET59B, MET59D, MET73B, MET73D, MET74B, MET74D, MET86B, MET86D, PHE259B, PHE259D, PHE40B, PHE40D, PRO172B, PRO172D, PRO235B, PRO235D, PRO236B, PRO236D, PRO262B, PRO262D, PRO309B, PRO309D, PRO383B, PRO383D, PRO399B, PRO399D, PRO44B, PRO44D, PRO57B, PRO57D, PRO84B, PRO84D, SER239B, SER239D, SER282B, SER389B, SER389D, THR171B, THR171D, THR387B, THR387D, THR395B, THR395D, THR398B, THR398D, THR39B, THR39D, THR49B, THR49D, TRP265B, TRP265D, TRP386B, TRP386D, TRP71B, TRP71D, TRP80B, TRP80D, TYR381B, TYR381D, TYR54B, TYR54D, TYR79B, TYR79D, VAL22D, VAL379B, VAL379D, VAL47B, VAL47D, VAL51B, VAL51D, VAL76B, VAL76D
• C-D: ALA120D, ALA123D, ALA166C, ALA215C, ALA219C, ALA240C, ALA299D, ALA330D, ALA331D, ARG118D, ARG148D, ARG193D, ARG246D, ARG272D, ARG273C, ARG273D, ARG303D, ARG390C, ASN169C, ASN271D, ASN324D, ASN329D, ASP119D, ASP168C, ASP177C, ASP275D, ASP393C, CYS250D, CYS297D, GLN178C, GLN179C, GLN213C, GLN214C, GLN217C, GLN221C, GLN226D, GLN237C, GLN238C, GLN244C, GLN244D, GLN247C, GLN247D, GLN248C, GLN248D, GLN298D, GLU180C, GLU223D, GLU243C, GLU243D, GLU354D, GLY146D, GLY197D, GLY301D, GLY355D, GLY394C, HIS149D, HIS165C, HIS201D, HIS328D, HIS397C, ILE121D, ILE202D, ILE230D, ILE269D, ILE274D, ILE325D, ILE332D, ILE396C, LEU164C, LEU200D, LEU210C, LEU218C, LEU234C, LEU242C, LEU242D, LEU253D, LEU268D, LEU327D, LEU391C, LYS116D, LYS199D, LYS220C, LYS220D, LYS353D, MET182C, PHE211C, PHE225D, PHE229D, PHE276D, PHE300D, PHE356D, PRO122D, PRO161C, PRO167C, PRO170C, PRO172C, PRO212C, PRO224D, PRO227D, PRO235C, PRO252D, PRO359D, PRO392C, SER117D, SER183C, SER239C, SER249C, SER249D, SER389C, THR171C, THR395C, THR398C, TRP175C, TRP198D, TRP241C, TYR147D, TYR228D, TYR358D, VAL186C, VAL216C, VAL245C, VAL245D, VAL251D, VAL270D, VAL302D, VAL357D