3G7K

crystal structure of methylitaconate-delta-isomerase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 171
  • Norm. En. per Res.: -5.5665
• 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	-230.9629	-167.2217	-554.115	-952.2997	181	26	9	22360	14	65	83
A-C	0.0	8.3626	-30.8575	-22.4949	22	3	0	1385	0	4	4
A-D	-88.8459	-23.1378	-179.415	-291.3987	94	17	0	7011	4	36	44
B-C	-66.1484	-16.4112	-170.757	-253.3166	94	17	0	7109	4	40	44
B-D	0.0	8.176	-24.7984	-16.6225	22	2	0	1346	0	4	4
C-D	-253.9433	-189.712	-508.214	-951.8693	171	34	9	20911	13	62	77

Interface residues

• A-B: ALA144A, ALA144B, ALA14A, ALA14B, ALA160A, ALA160B, ALA341A, ALA364A, ALA364B, ALA377A, ALA377B, ALA54A, ALA54B, ALA56A, ALA56B, ARG13A, ARG13B, ARG362A, ARG365A, ARG365B, ARG366A, ARG366B, ARG40A, ARG40B, ARG48A, ARG48B, ARG6A, ARG6B, ASN159A, ASN159B, ASN280A, ASN98A, ASN98B, ASP109A, ASP109B, ASP141A, ASP141B, ASP153A, ASP153B, ASP222A, ASP275A, ASP3A, ASP3B, ASP46A, ASP46B, ASP51A, ASP51B, ASP57A, ASP57B, CYS150A, CYS150B, CYS9A, CYS9B, GLN388B, GLN49A, GLN49B, GLN4A, GLN4B, GLU140A, GLU140B, GLU369A, GLU369B, GLU375A, GLU375B, GLY142A, GLY148A, GLY148B, GLY154A, GLY154B, GLY157A, GLY157B, GLY15A, GLY15B, GLY19A, GLY19B, GLY279A, GLY370A, GLY370B, GLY43A, GLY43B, GLY52A, GLY52B, GLY55A, GLY55B, HIS300A, HIS339A, ILE11A, ILE11B, ILE152A, ILE152B, ILE20A, ILE20B, ILE367A, ILE367B, ILE41A, ILE41B, ILE50A, ILE50B, ILE7A, ILE7B, ILE99A, ILE99B, LEU22A, LEU22B, LEU53A, LEU53B, LEU59A, LEU59B, LYS143A, LYS143B, LYS145A, LYS145B, LYS151A, LYS18A, LYS18B, LYS301A, LYS376A, LYS376B, LYS378A, LYS378B, LYS62A, LYS62B, MET12A, MET12B, MET368A, MET368B, MET5A, MET5B, PHE21A, PHE21B, PHE276A, PHE42A, PHE42B, PRO156A, PRO156B, PRO221A, PRO340A, PRO387B, PRO45A, PRO45B, PRO8A, PRO8B, SER147A, SER147B, SER17A, SER17B, SER277A, SER2A, SER2B, SER44A, SER44B, SER61B, THR158A, THR158B, THR16A, THR16B, THR278A, THR302A, THR302B, THR363A, THR363B, THR60A, THR60B, THR86B, TYR303A, TYR371A, TYR371B, TYR373A, TYR373B, VAL10A, VAL10B, VAL146A, VAL146B, VAL155A, VAL155B, VAL372A, VAL372B, VAL374A, VAL374B, VAL47A, VAL47B
• A-C: ARG6A, ARG6C, ASP26A, ASP26C, GLY370A, GLY370C, ILE7A, ILE7C, LYS376A, LYS376C, MET5A, MET5C, PRO8A, PRO8C, SER2A, SER2C, TYR371A, TYR371C, TYR373A, TYR373C, VAL372A, VAL372C
• A-D: ALA107A, ALA107D, ALA115A, ALA115D, ALA144A, ALA144D, ALA29A, ALA29D, ARG34A, ARG34D, ARG366A, ARG366D, ARG6A, ARG6D, ASN25A, ASN25D, ASP109A, ASP109D, ASP141A, ASP141D, ASP26A, ASP26D, ASP30A, ASP30D, ASP75A, ASP75D, ASP77A, ASP77D, GLU110A, GLU110D, GLU117A, GLU117D, GLU369A, GLU369D, GLY142A, GLY142D, GLY24A, GLY24D, GLY370A, GLY370D, GLY67A, GLY67D, ILE108A, ILE108D, ILE65A, ILE65D, ILE66A, ILE66D, ILE7A, ILE7D, LEU22A, LEU22D, LEU27A, LEU27D, LEU33A, LEU33D, LYS114A, LYS114D, LYS143A, LYS143D, LYS23A, LYS23D, MET5A, MET5D, PHE106A, PHE106D, PHE112A, PHE112D, PRO105A, PRO105D, PRO28A, PRO28D, PRO68A, PRO68D, PRO8A, PRO8D, SER111A, SER111D, SER69A, SER69D, THR120A, THR120D, THR70A, THR70D, TYR371A, TYR371D, VAL113A, VAL113D, VAL116A, VAL116D, VAL139A, VAL139D, VAL76A, VAL76D
• B-C: ALA107B, ALA107C, ALA115B, ALA115C, ALA144B, ALA144C, ALA29B, ALA29C, ARG34B, ARG34C, ARG366B, ARG366C, ARG6B, ARG6C, ASN25B, ASN25C, ASP109B, ASP109C, ASP141B, ASP141C, ASP26B, ASP26C, ASP30B, ASP30C, ASP75B, ASP75C, ASP77B, ASP77C, GLU110B, GLU110C, GLU117B, GLU117C, GLU369B, GLU369C, GLY142B, GLY142C, GLY24B, GLY24C, GLY370B, GLY370C, GLY67B, GLY67C, ILE108B, ILE108C, ILE65B, ILE65C, ILE66B, ILE66C, ILE7B, ILE7C, LEU22B, LEU22C, LEU27B, LEU27C, LEU33B, LEU33C, LYS114B, LYS114C, LYS143B, LYS143C, LYS23B, LYS23C, MET5B, MET5C, PHE106B, PHE106C, PHE112B, PHE112C, PRO105B, PRO105C, PRO28B, PRO28C, PRO68B, PRO68C, PRO8B, PRO8C, SER111B, SER111C, SER69B, SER69C, THR120B, THR120C, THR70B, THR70C, TYR371B, TYR371C, VAL113B, VAL113C, VAL116B, VAL116C, VAL139B, VAL139C, VAL76B, VAL76C
• B-D: ARG6B, ARG6D, ASP26B, ASP26D, GLY370B, GLY370D, ILE7B, ILE7D, LYS376B, LYS376D, MET5B, MET5D, PRO8B, PRO8D, SER2B, SER2D, TYR371B, TYR371D, TYR373B, TYR373D, VAL372B, VAL372D
• C-D: ALA144C, ALA144D, ALA14C, ALA14D, ALA160C, ALA160D, ALA341C, ALA364C, ALA364D, ALA377C, ALA377D, ALA54C, ALA54D, ALA56C, ALA56D, ARG13C, ARG13D, ARG365C, ARG365D, ARG366C, ARG366D, ARG40C, ARG40D, ARG48C, ARG48D, ARG6C, ARG6D, ASN159C, ASN159D, ASN98D, ASP109C, ASP109D, ASP141C, ASP141D, ASP149D, ASP153C, ASP153D, ASP3C, ASP3D, ASP46C, ASP46D, ASP51C, ASP51D, ASP57C, ASP57D, CYS150C, CYS150D, CYS9C, CYS9D, GLN49C, GLN49D, GLN4C, GLN4D, GLU140C, GLU140D, GLU369C, GLU369D, GLU375C, GLU375D, GLY148C, GLY148D, GLY154C, GLY154D, GLY157C, GLY157D, GLY15C, GLY15D, GLY19C, GLY19D, GLY342C, GLY370C, GLY370D, GLY43C, GLY43D, GLY52C, GLY52D, GLY55C, GLY55D, HIS300D, HIS339C, ILE11C, ILE11D, ILE152C, ILE152D, ILE20C, ILE20D, ILE367C, ILE367D, ILE41C, ILE41D, ILE50C, ILE50D, ILE7C, ILE7D, ILE99C, ILE99D, LEU22C, LEU22D, LEU379C, LEU53C, LEU53D, LEU59C, LEU59D, LYS143C, LYS143D, LYS145C, LYS145D, LYS151D, LYS18C, LYS18D, LYS301D, LYS376C, LYS376D, LYS378C, LYS378D, LYS62C, LYS62D, MET12C, MET12D, MET368C, MET368D, MET5C, MET5D, PHE21C, PHE21D, PHE276D, PHE42C, PHE42D, PRO156C, PRO156D, PRO340C, PRO45C, PRO45D, PRO58C, PRO8C, PRO8D, SER147C, SER147D, SER17C, SER17D, SER2C, SER2D, SER44C, SER44D, SER61C, SER61D, THR158C, THR158D, THR16C, THR16D, THR302D, THR363C, THR363D, THR60C, THR60D, TYR371C, TYR371D, TYR373C, TYR373D, VAL10C, VAL10D, VAL146C, VAL146D, VAL155C, VAL155D, VAL372C, VAL372D, VAL374C, VAL374D, VAL47C, VAL47D