3CK5

crystal structure of a racemase from streptomyces coelicolor a3(2) with bound magnesium

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 25
  • Norm. En. per Res.: -4.1818
• Hub Node: A(2)

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	-48.3847	-71.3448	-412.895	-532.6245	156	9	3	15497	6	68	58
A-D	-8.9527	-58.7892	-36.8026	-104.5445	25	3	0	1628	4	15	16
C-D	-39.2183	-63.7456	-385.07	-488.0339	154	24	4	15302	4	66	55

Interface residues

• A-B: ALA100A, ALA100B, ALA103A, ALA103B, ALA260A, ALA260B, ALA263A, ALA263B, ALA58A, ALA58B, ALA59A, ALA59B, ALA61A, ALA61B, ALA94A, ALA94B, ARG13A, ARG13B, ARG239A, ARG239B, ARG262A, ARG262B, ARG69A, ARG69B, ARG90A, ARG90B, ARG96A, ARG96B, ASN199A, ASN199B, ASN250A, ASN250B, ASN259A, ASN259B, ASN275A, ASN275B, ASN54A, ASN54B, ASP229A, ASP229B, ASP22B, ASP230A, ASP230B, ASP256A, ASP256B, ASP272A, ASP272B, ASP67A, ASP67B, CYS71A, CYS71B, GLU224A, GLU224B, GLU249A, GLU249B, GLU32A, GLU32B, GLY233A, GLY233B, GLY248A, GLY248B, GLY300A, GLY300B, GLY56A, GLY56B, GLY57A, GLY57B, GLY70A, GLY70B, GLY95A, GLY95B, GLY97A, GLY97B, GLY98A, GLY98B, HIS252A, HIS252B, HIS258A, HIS258B, HIS25A, HIS25B, HIS299A, HIS299B, HIS55A, HIS55B, HIS92A, HIS92B, HIS99A, HIS99B, ILE104A, ILE104B, ILE227A, ILE227B, ILE34A, LEU11A, LEU11B, LEU231A, LEU231B, LEU251A, LEU251B, LEU254A, LEU254B, LEU68A, LEU68B, LEU91A, LEU91B, LYS201A, LYS201B, LYS66A, LYS66B, PHE257A, PHE257B, PHE31A, PHE31B, PRO228A, PRO228B, SER102A, SER102B, SER274A, SER274B, THR101A, THR101B, THR226A, THR226B, THR24A, THR24B, THR253A, THR253B, THR50A, THR50B, THR52A, THR52B, THR62A, THR62B, TRP88A, TRP88B, TRP89A, TRP89B, TYR255A, TYR255B, TYR51A, TYR51B, TYR93A, TYR93B, VAL232A, VAL232B, VAL301A, VAL301B, VAL362A, VAL362B, VAL53A, VAL53B, VAL60A, VAL60B, VAL64A, VAL64B
• A-D: ALA327A, ALA75D, ARG356A, ARG359A, ARG69D, ARG6D, ARG8D, ASP353A, GLU355A, GLU39D, GLU5D, GLY358A, GLY70D, GLY74D, ILE4D, LEU357A, LEU360A, LEU3D, LEU72D, LEU73D, PHE354A, PRO17A, SER41D, TYR328A, VAL7D
• C-D: ALA100C, ALA100D, ALA103C, ALA103D, ALA235D, ALA263C, ALA263D, ALA27C, ALA58C, ALA58D, ALA59C, ALA59D, ALA61C, ALA61D, ALA94C, ALA94D, ARG13C, ARG13D, ARG239D, ARG262C, ARG262D, ARG69D, ARG90C, ARG90D, ARG96C, ARG96D, ASN199C, ASN199D, ASN250C, ASN250D, ASN259C, ASN259D, ASN275C, ASN275D, ASN54C, ASN54D, ASP229C, ASP229D, ASP22C, ASP230C, ASP230D, ASP256C, ASP256D, ASP272C, ASP272D, ASP67C, ASP67D, CYS71C, CYS71D, GLN85D, GLU224C, GLU224D, GLU249C, GLU249D, GLU319C, GLU32C, GLU32D, GLY233C, GLY233D, GLY248C, GLY248D, GLY300C, GLY300D, GLY56C, GLY56D, GLY57C, GLY57D, GLY70C, GLY70D, GLY95C, GLY95D, GLY97C, GLY97D, GLY98C, GLY98D, HIS252C, HIS252D, HIS258C, HIS258D, HIS25C, HIS299C, HIS299D, HIS321C, HIS55C, HIS55D, HIS92C, HIS92D, HIS99C, HIS99D, ILE104C, ILE104D, ILE227C, ILE227D, LEU11C, LEU11D, LEU231C, LEU231D, LEU251C, LEU251D, LEU254C, LEU254D, LEU68C, LEU68D, LEU91C, LEU91D, LYS201C, LYS201D, LYS66C, LYS66D, PHE257C, PHE257D, PHE31C, PHE31D, PRO228C, PRO228D, SER102C, SER102D, SER274C, SER274D, SER86D, THR101C, THR101D, THR226C, THR226D, THR24C, THR253C, THR253D, THR50C, THR50D, THR52C, THR52D, THR62C, THR62D, TRP88C, TRP88D, TRP89C, TRP89D, TYR255C, TYR255D, TYR51C, TYR51D, TYR93C, TYR93D, VAL232C, VAL232D, VAL301C, VAL301D, VAL362C, VAL53C, VAL53D, VAL60C, VAL60D, VAL64C, VAL64D