3T4W

the crystal structure of mandelate racemase/muconate lactonizing enzyme from sulfitobacter sp

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 187
  • Norm. En. per Res.: -5.3158
• 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	-95.0112	-95.92	-327.347	-518.2782	124	16	5	14149	14	50	44
A-C	-110.035	-202.3317	-681.691	-994.0578	187	30	17	25275	13	57	49
A-D	-16.7415	-7.8286	-184.571	-209.1411	107	16	3	8612	1	15	16
B-C	-31.0476	-7.3225	-195.926	-234.2961	107	9	3	8444	1	15	16
B-D	-106.0665	-163.4841	-666.732	-936.2826	195	31	14	25184	11	58	49

Interface residues

• A-B: ALA115A, ALA115B, ALA266A, ALA266B, ALA269A, ALA269B, ALA297A, ALA297B, ALA298A, ALA298B, ALA300A, ALA300B, ALA326A, ALA326B, ARG109A, ARG109B, ARG111A, ARG111B, ARG120A, ARG120B, ARG273A, ARG273B, ARG75A, ARG75B, ARG76A, ARG76B, ASN122A, ASN122B, ASN304A, ASN304B, ASN330A, ASN330B, ASN66A, ASN66B, ASN69A, ASN69B, ASP108A, ASP108B, ASP110A, ASP110B, GLN84A, GLN84B, GLU123A, GLU123B, GLU267A, GLU267B, GLU292A, GLU292B, GLU301A, GLU301B, GLU65A, GLU65B, GLU68A, GLU68B, GLU71A, GLU71B, GLY118A, GLY118B, GLY119A, GLY119B, ILE117A, ILE117B, ILE296A, ILE296B, ILE328A, ILE328B, ILE70A, ILE70B, LEU105A, LEU105B, LEU116A, LEU116B, LEU272A, LEU272B, LEU72A, LEU72B, LYS265A, LYS265B, LYS294A, LYS294B, LYS295A, LYS295B, MET121A, MET121B, MET1A, MET1B, MET299A, MET299B, MET73A, MET73B, PHE268A, PHE268B, PRO112A, PRO112B, PRO270A, PRO270B, PRO329A, PRO329B, PRO67A, PRO67B, SER0A, SER0B, SER274B, SER327A, SER327B, SER79B, THR264A, THR264B, TRP102A, TRP102B, TRP291A, TRP291B, TYR114A, TYR114B, TYR303A, TYR303B, TYR74A, TYR74B, TYR78A, TYR78B, VAL113A, VAL113B, VAL302A, VAL302B
• A-C: ALA241A, ALA241C, ALA266A, ALA266C, ALA269A, ALA269C, ALA42A, ALA42C, ALA43A, ALA43C, ALA49A, ALA49C, ALA52A, ALA52C, ALA77A, ALA77C, ALA93A, ALA93C, ARG175A, ARG175C, ARG21A, ARG21C, ARG261A, ARG261C, ARG273A, ARG273C, ARG286A, ARG286C, ARG51A, ARG51C, ARG60A, ARG60C, ARG75A, ARG75C, ARG76A, ARG76C, ARG85A, ARG85C, ASN382A, ASN382C, ASP240A, ASP240C, ASP56A, ASP56C, ASP87A, ASP87C, GLN212A, GLN212C, GLN244A, GLN244C, GLN389A, GLN389C, GLN48A, GLN48C, GLN84A, GLN84C, GLU234A, GLU234C, GLU235A, GLU235C, GLU243A, GLU243C, GLU260A, GLU260C, GLU267A, GLU267C, GLU387A, GLU387C, GLU390A, GLU390C, GLU55A, GLU55C, GLU65A, GLU65C, GLU71A, GLU71C, GLY176A, GLY176C, GLY177A, GLY177C, GLY211A, GLY211C, GLY259A, GLY259C, GLY381A, GLY381C, GLY383A, GLY383C, GLY46A, GLY46C, GLY81A, GLY81C, HIS210A, HIS210C, HIS310A, HIS310C, HIS385A, HIS385C, HIS61A, HIS61C, ILE237A, ILE237C, ILE54A, ILE54C, LEU262A, LEU262C, LEU384A, LEU384C, LEU386A, LEU386C, LEU72A, LEU72C, LEU88A, LEU88C, LYS265A, LYS265C, MET174A, MET174C, MET388A, MET388C, MET50A, MET50C, MET73A, MET73C, MET91A, MET91C, PHE268A, PHE58A, PHE58C, PHE82A, PHE82C, PRO238A, PRO238C, PRO239A, PRO239C, PRO270A, PRO270C, PRO47A, PRO47C, PRO86A, PRO86C, SER274A, SER274C, SER44A, SER44C, SER79A, SER79C, SER80A, SER80C, THR173A, THR173C, THR209A, THR209C, THR263A, THR263C, THR264A, THR264C, THR83A, THR83C, THR89A, THR89C, TYR172A, TYR172C, TYR22A, TYR22C, TYR312A, TYR312C, TYR379A, TYR379C, TYR41A, TYR41C, TYR74A, TYR74C, TYR78A, TYR78C, VAL242A, VAL242C, VAL271C, VAL287C, VAL45A, VAL45C, VAL53A, VAL53C, VAL57A, VAL57C, VAL90A, VAL90C
• A-D: ALA163A, ALA181D, ALA203A, ALA216D, ALA218D, ALA224D, ALA226A, ALA241D, ALA247D, ALA249A, ALA251D, ALA257A, ALA277A, ALA278A, ALA300A, ALA305A, ALA325A, ALA326A, ALA391D, ARG120A, ARG124A, ARG126A, ARG175D, ARG196A, ARG220D, ARG250A, ARG250D, ASN122A, ASN223D, ASN304A, ASN330A, ASP184D, ASP201A, ASP204A, ASP240D, ASP394D, CYS393D, GLN187D, GLN212D, GLN244D, GLN306A, GLU123A, GLU243D, GLU301A, GLU390D, GLY127A, GLY160A, GLY176D, GLY177D, GLY200A, GLY211D, GLY217D, GLY275A, HIS178D, ILE185D, ILE219D, ILE237D, ILE254A, ILE279A, ILE307A, ILE328A, ILE331A, LEU205A, LEU206A, LEU221D, LEU231A, LEU272A, LEU332A, LYS202A, MET121A, MET174D, MET179D, MET182D, MET245D, MET333A, PHE213D, PHE356A, PRO180D, PRO227A, PRO230A, PRO236D, PRO238D, PRO239D, PRO253A, PRO253D, PRO255A, PRO329A, PRO392D, SER186D, SER229A, THR162A, THR173D, THR183D, THR214D, THR215D, TRP232A, TYR228A, TYR233A, TYR303A, TYR395D, VAL125A, VAL199A, VAL248D, VAL252A, VAL252D, VAL256A, VAL302A
• B-C: ALA163B, ALA181C, ALA203B, ALA216C, ALA218C, ALA224C, ALA226B, ALA241C, ALA247C, ALA249B, ALA251C, ALA277B, ALA278B, ALA300B, ALA305B, ALA325B, ALA326B, ALA391C, ARG120B, ARG124B, ARG126B, ARG175C, ARG196B, ARG220C, ARG250B, ARG250C, ARG273B, ASN122B, ASN223C, ASN304B, ASN330B, ASP184C, ASP201B, ASP204B, ASP240C, ASP394C, CYS393C, GLN187C, GLN212C, GLN244C, GLN306B, GLU123B, GLU243C, GLU301B, GLU390C, GLY127B, GLY160B, GLY176C, GLY177C, GLY200B, GLY211C, GLY217C, GLY275B, HIS178C, ILE185C, ILE219C, ILE237C, ILE254B, ILE279B, ILE307B, ILE328B, ILE331B, LEU205B, LEU206B, LEU221C, LEU231B, LEU272B, LEU332B, LYS202B, MET121B, MET174C, MET179C, MET182C, MET245C, MET333B, PHE213C, PHE356B, PRO180C, PRO230B, PRO236C, PRO238C, PRO239C, PRO253B, PRO253C, PRO255B, PRO329B, PRO392C, SER186C, SER229B, THR162B, THR173C, THR183C, THR214C, THR215C, TRP232B, TYR161B, TYR228B, TYR233B, TYR303B, TYR395C, VAL125B, VAL199B, VAL248C, VAL252B, VAL252C, VAL256B, VAL302B
• B-D: ALA241B, ALA241D, ALA266B, ALA266D, ALA269B, ALA269D, ALA42B, ALA42D, ALA43B, ALA43D, ALA49B, ALA49D, ALA52B, ALA52D, ALA59B, ALA59D, ALA77B, ALA77D, ALA93B, ALA93D, ARG175B, ARG175D, ARG21B, ARG21D, ARG261B, ARG261D, ARG273B, ARG273D, ARG286B, ARG286D, ARG51B, ARG51D, ARG60B, ARG60D, ARG75B, ARG75D, ARG76B, ARG76D, ARG85B, ARG85D, ASN382B, ASN382D, ASP240B, ASP240D, ASP56B, ASP56D, ASP87B, ASP87D, GLN212B, GLN212D, GLN244B, GLN244D, GLN389B, GLN389D, GLN48B, GLN48D, GLN84B, GLN84D, GLU234B, GLU234D, GLU235B, GLU235D, GLU243B, GLU243D, GLU260B, GLU260D, GLU267B, GLU267D, GLU387B, GLU387D, GLU390B, GLU390D, GLU55B, GLU55D, GLU65B, GLU65D, GLU71B, GLU71D, GLY176B, GLY176D, GLY177B, GLY177D, GLY208B, GLY208D, GLY211B, GLY211D, GLY259B, GLY259D, GLY381B, GLY381D, GLY383B, GLY383D, GLY46B, GLY46D, GLY81B, GLY81D, GLY92B, GLY92D, HIS210B, HIS210D, HIS310B, HIS310D, HIS385B, HIS385D, HIS61B, HIS61D, ILE237B, ILE237D, ILE54B, ILE54D, LEU262B, LEU262D, LEU384B, LEU384D, LEU386B, LEU386D, LEU72B, LEU72D, LEU88B, LEU88D, LYS265B, LYS265D, MET174B, MET174D, MET388B, MET388D, MET50B, MET50D, MET73B, MET73D, MET91B, MET91D, PHE213B, PHE268B, PHE58B, PHE58D, PHE82B, PHE82D, PRO238B, PRO238D, PRO239B, PRO239D, PRO270B, PRO270D, PRO392D, PRO47B, PRO47D, PRO86B, PRO86D, SER274B, SER274D, SER44B, SER44D, SER79B, SER79D, SER80B, SER80D, THR173B, THR173D, THR209B, THR209D, THR263B, THR263D, THR264B, THR264D, THR83B, THR83D, THR89B, THR89D, TYR172B, TYR172D, TYR22B, TYR22D, TYR312B, TYR312D, TYR379B, TYR379D, TYR41B, TYR41D, TYR74B, TYR74D, TYR78B, TYR78D, VAL242B, VAL242D, VAL287B, VAL287D, VAL45B, VAL45D, VAL53B, VAL53D, VAL57B, VAL57D, VAL90B, VAL90D