3FZ5

crystal structure of possible 2-hydroxychromene-2-carboxylate isomerase from rhodobacter sphaeroides

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 103
  • Norm. En. per Res.: -5.7993
• 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	-68.0187	-215.2738	-314.033	-597.3254	103	18	1	10889	13	33	33
A-D	0.0	0.0	-0.4215	-0.4215	8	0	0	124	0	2	0
B-D	0.0	32.2203	-66.301	-34.0807	65	0	6	3560	0	20	23
C-D	-81.3382	-185.8491	-316.957	-584.1443	103	17	1	10548	13	34	34

Interface residues

• A-B: ALA163A, ALA163B, ALA165A, ALA165B, ALA62A, ALA62B, ALA67A, ALA67B, ALA70A, ALA70B, ARG166A, ARG166B, ARG186A, ARG186B, ARG195A, ARG59A, ARG59B, ARG64A, ARG64B, ARG68A, ARG68B, ARG71A, ARG71B, ARG73A, ARG73B, ASP177A, ASP177B, ASP178A, ASP178B, ASP185A, ASP185B, ASP60A, ASP60B, ASP65A, ASP65B, GLN72A, GLN72B, GLU179A, GLU179B, GLU188A, GLU188B, GLU192A, GLU192B, GLY167A, GLY167B, GLY170B, GLY183A, GLY183B, GLY198A, GLY198B, GLY74A, GLY74B, ILE168A, ILE168B, ILE69A, ILE69B, LEU175A, LEU175B, LEU40B, LEU52A, LEU57A, LEU57B, LYS58A, LYS58B, PHE169A, PHE169B, PHE173A, PHE173B, PHE174A, PHE174B, PHE17A, PHE17B, PHE181A, PHE181B, PRO172B, PRO180A, PRO180B, PRO56A, PRO56B, SER53A, SER54A, THR196A, THR196B, THR55A, THR55B, TRP182A, TRP182B, TRP184A, TRP184B, TRP193A, TRP193B, TRP199A, TRP199B, TRP66A, TRP66B, TYR14A, TYR14B, TYR61A, TYR61B, VAL164A, VAL164B, VAL176A, VAL176B
• A-D: ARG131D, GLU127D, GLU139D, GLU141D, LEU52A, PRO140D, SER53A, SER54A
• B-D: ALA104D, ALA105D, ALA107D, ALA124B, ALA128B, ALA145B, ALA148B, ALA24D, ALA27D, ALA87B, ALA89B, ARG111D, ARG120D, ARG131D, ARG157B, ARG92B, ASP103D, ASP114D, ASP122B, ASP82B, ASP9B, GLN100D, GLN110D, GLN20D, GLU127B, GLU135D, GLU139D, GLU141B, GLU141D, GLU154B, GLU161B, GLU23D, GLY133D, GLY137D, GLY160B, HIS85B, ILE97D, LEU115D, LEU132D, LEU138D, LEU144B, LEU40B, LEU75D, LEU88B, LYS153B, LYS158B, PHE108D, PRO102D, PRO126B, PRO134D, PRO150B, PRO84B, SER101D, SER125B, SER54B, THR106D, THR123B, THR32D, THR91B, TRP35D, TYR38B, VAL136D, VAL156B, VAL164B, VAL86B
• C-D: ALA163C, ALA163D, ALA165C, ALA165D, ALA62C, ALA62D, ALA67C, ALA67D, ALA70C, ALA70D, ARG166C, ARG166D, ARG186C, ARG186D, ARG59C, ARG59D, ARG64C, ARG64D, ARG68C, ARG68D, ARG71C, ARG71D, ARG73C, ARG73D, ASP177C, ASP177D, ASP178C, ASP178D, ASP185C, ASP185D, ASP60C, ASP60D, ASP65C, ASP65D, GLN72C, GLN72D, GLU179C, GLU179D, GLU188C, GLU188D, GLU192C, GLU192D, GLY167C, GLY167D, GLY170D, GLY183C, GLY183D, GLY198C, GLY198D, GLY74C, GLY74D, ILE168C, ILE168D, ILE69C, ILE69D, LEU175C, LEU175D, LEU40D, LEU52C, LEU57C, LEU57D, LYS58C, LYS58D, PHE169C, PHE169D, PHE173C, PHE173D, PHE174C, PHE174D, PHE17C, PHE17D, PHE181C, PHE181D, PRO172C, PRO180C, PRO180D, PRO56C, SER53C, SER54C, SER54D, THR196C, THR196D, THR55C, THR55D, TRP182C, TRP182D, TRP184C, TRP184D, TRP193C, TRP193D, TRP199C, TRP199D, TRP66C, TRP66D, TYR14C, TYR14D, TYR38D, TYR61C, TYR61D, VAL164C, VAL164D, VAL176C, VAL176D