3U4F

crystal structure of a mandelate racemase (muconate lactonizing enzyme family protein) from roseovarius nubinhibens

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 153
  • Norm. En. per Res.: -5.6296
• 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	-110.5656	-303.5648	-447.199	-861.3295	153	25	4	16503	24	95	73
A-C	-14.2816	11.0428	-67.0606	-70.2994	44	4	1	2728	0	34	39
A-D	-3.2073	-29.0916	-7.6661	-39.9649	30	0	0	585	3	23	14
C-D	-100.8274	-260.1562	-449.349	-810.3326	153	23	4	16524	23	93	71

Interface residues

• A-B: ALA150A, ALA150B, ALA287A, ALA287B, ALA81A, ARG121A, ARG121B, ARG147A, ARG147B, ARG154A, ARG154B, ARG244A, ARG244B, ARG245A, ARG245B, ARG270A, ARG270B, ARG45A, ARG45B, ARG69A, ARG69B, ARG79A, ARG79B, ARG80A, ARG80B, ASN11A, ASN11B, ASN185A, ASN185B, ASP183A, ASP183B, ASP237A, ASP237B, ASP239A, ASP239B, ASP258A, ASP258B, ASP37A, ASP37B, ASP60A, ASP60B, ASP61A, ASP61B, ASP64A, ASP64B, CYS238A, CYS238B, CYS40A, CYS40B, GLN219A, GLN219B, GLN236A, GLN236B, GLN46A, GLN46B, GLU12A, GLU12B, GLU151A, GLU151B, GLU209A, GLU209B, GLU210A, GLU210B, GLU216A, GLU216B, GLU218A, GLU218B, GLU235A, GLU235B, GLU41A, GLU41B, GLU68A, GLU68B, GLU70A, GLU70B, GLY153A, GLY153B, GLY75A, GLY75B, HIS285A, HIS285B, HIS35A, HIS35B, HIS44A, HIS44B, HIS71A, HIS71B, ILE38A, ILE38B, LEU217A, LEU217B, LEU240A, LEU240B, LEU43A, LEU43B, LEU62A, LEU62B, LEU63A, LEU63B, LEU65A, LEU65B, LEU78A, LEU78B, LYS362A, LYS362B, LYS72A, LYS72B, PHE13A, PHE13B, PHE73A, PHE73B, PRO213A, PRO213B, PRO49A, PRO49B, PRO74A, PRO74B, SER186A, SER186B, SER32A, SER32B, SER36A, SER36B, SER76A, SER76B, THR241A, THR241B, THR242A, THR242B, THR33A, THR33B, THR39A, THR39B, THR67A, THR67B, TRP215A, TRP215B, TRP50A, TRP50B, TYR214A, TYR214B, TYR261A, TYR261B, TYR34A, TYR34B, TYR77A, TYR77B, VAL152A, VAL152B, VAL42A, VAL42B, VAL66A, VAL66B
• A-C: ALA109A, ALA272C, ALA275C, ALA277C, ALA278C, ALA279C, ALA344A, ARG244C, ARG245C, ARG250C, ARG270C, ARG273C, ARG333A, ARG340A, ASP137A, ASP248C, ASP330A, ASP336A, ASP58C, GLU218C, GLU225C, GLU276C, GLU329A, GLU335A, GLU343A, GLU350A, GLY110A, GLY348A, ILE247C, LEU240C, LEU269C, LEU280C, LYS221C, PHE327A, PRO331A, PRO345A, THR111A, THR241C, THR342A, TYR332A, VAL271C, VAL328A, VAL341A, VAL349A
• A-D: ALA109A, ALA189D, ALA191D, ARG113A, ARG136A, ARG154D, ARG156D, ARG245D, ARG301A, ARG340A, ASP142A, ASP336A, GLN192D, GLN219D, GLU216D, GLU218D, GLU222D, GLU225D, GLU335A, GLU343A, GLY110A, HIS338A, LYS221D, PRO190D, PRO213D, SER108A, SER177A, THR111A, THR342A, VAL341A
• C-D: ALA150C, ALA150D, ALA287C, ALA287D, ARG121C, ARG121D, ARG147C, ARG147D, ARG154C, ARG154D, ARG244C, ARG244D, ARG245C, ARG245D, ARG270C, ARG270D, ARG45C, ARG45D, ARG69C, ARG69D, ARG79C, ARG79D, ARG80C, ARG80D, ASN11C, ASN11D, ASN185C, ASN185D, ASP183C, ASP183D, ASP237C, ASP237D, ASP239C, ASP239D, ASP258C, ASP258D, ASP37C, ASP37D, ASP58C, ASP60C, ASP60D, ASP61C, ASP61D, ASP64C, ASP64D, CYS238C, CYS238D, CYS40C, CYS40D, GLN219C, GLN219D, GLN236C, GLN236D, GLN46C, GLN46D, GLU12C, GLU12D, GLU151C, GLU151D, GLU209C, GLU209D, GLU210C, GLU210D, GLU216C, GLU216D, GLU218C, GLU218D, GLU235C, GLU235D, GLU41C, GLU41D, GLU68C, GLU68D, GLU70C, GLU70D, GLY153C, GLY153D, GLY75C, GLY75D, HIS285C, HIS285D, HIS35C, HIS35D, HIS44C, HIS44D, HIS71C, HIS71D, ILE38C, ILE38D, LEU217C, LEU217D, LEU240C, LEU240D, LEU43C, LEU43D, LEU62C, LEU62D, LEU63C, LEU63D, LEU65C, LEU65D, LEU78C, LEU78D, LYS362C, LYS362D, LYS72C, LYS72D, PHE13C, PHE13D, PHE73C, PHE73D, PRO213C, PRO213D, PRO49C, PRO49D, PRO74C, PRO74D, SER186C, SER186D, SER32C, SER32D, SER36C, SER36D, SER76C, SER76D, THR241C, THR241D, THR242C, THR242D, THR33C, THR33D, THR39C, THR39D, THR67C, THR67D, TRP215C, TRP215D, TRP50C, TRP50D, TYR214C, TYR214D, TYR261C, TYR261D, TYR34C, TYR34D, TYR77C, TYR77D, VAL152C, VAL152D, VAL42C, VAL42D, VAL66C, VAL66D