2PT5

crystal structure of shikimate kinase (aq_2177) from aquifex aeolicus vf5

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 43
  • Norm. En. per Res.: -2.6697
• 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-C	0.0	-9.8109	-100.806	-110.6169	56	2	2	5211	1	12	14
A-D	0.0	21.0858	-54.7639	-33.6781	46	10	0	2670	0	20	15
B-C	-25.1179	5.1512	-94.8323	-114.799	43	10	1	4611	1	33	35
C-D	-2.9007	-47.2037	-61.4764	-111.5808	50	9	0	3067	3	34	25

Interface residues

• A-C: ALA165A, ALA165C, ARG22A, ARG22C, ARG2A, ARG2C, ASN164A, ASN25A, ASN25C, ASN71A, ASN71C, GLU151A, GLU151C, GLU152A, GLU152C, GLU156A, GLU156C, GLU162A, GLU162C, GLU70A, GLY163A, GLY163C, ILE157A, ILE157C, ILE26A, ILE26C, ILE3A, ILE3C, LEU158A, LEU158C, LEU159A, LEU159C, LEU161A, LEU161C, LEU166A, LEU166C, LEU19A, LEU19C, LEU20A, LEU20C, LEU24A, LEU24C, LYS155A, LYS155C, PRO149C, PRO150C, SER160A, SER160C, SER18A, SER18C, SER23A, SER23C, VAL153C, VAL154A, VAL154C, VAL72A
• A-D: ALA140A, ALA165A, ALA53D, ALA82D, ARG121D, ARG133D, ARG2A, ARG56D, ARG93A, ASN164A, ASN71A, ASP124D, ASP141A, GLU125D, GLU162A, GLU48D, GLU52D, GLU59D, GLU68A, GLU70A, GLY163A, GLY51D, GLY78D, GLY79D, GLY94A, ILE142A, LEU123D, LEU129D, LEU159A, LEU161A, LEU166A, LEU80D, LYS139A, LYS143A, LYS69A, LYS91A, PHE106D, PHE47D, PHE55D, PHE8D, PRO122D, SER138A, SER160A, SER92A, TYR137D, TYR54D
• B-C: ARG109B, ARG109C, ARG121B, ARG121C, ARG134B, ARG134C, ASN128B, ASN128C, ASP124B, ASP124C, GLU104B, GLU104C, GLU108B, GLU108C, GLU125C, GLU131B, GLU131C, GLU147B, ILE126B, ILE126C, LEU107B, LEU107C, LEU118B, LEU119B, LEU123B, LEU123C, LYS120B, LYS127B, LYS127C, LYS143C, LYS145B, PHE103B, PHE103C, PHE106B, PHE106C, PHE130B, PHE130C, PRO102B, PRO102C, PRO122B, PRO122C, VAL105B, VAL105C
• C-D: ALA53D, ALA82D, ARG121D, ARG133D, ARG134D, ARG22C, ARG56D, ASN128D, ASN25C, ASN83D, ASP124D, ASP30C, GLN36C, GLU125D, GLU131D, GLU132D, GLU151C, GLU33C, GLU34C, GLU84D, GLU85D, GLY17C, GLY78D, GLY79D, ILE126D, ILE136D, ILE26C, LEU129D, LEU19C, LEU24C, LEU66C, LYS127D, LYS135D, LYS139D, LYS37C, LYS57D, LYS69C, PHE130D, PHE28C, PHE8D, PRO122D, PRO149C, PRO150C, PRO27C, SER14C, SER18C, SER21C, THR15C, TYR137D, TYR29C