3CR7

crystal structure of n-terminal truncation of aps kinase from penicillium chrysogenum: ternary structure with adp and paps

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 79
  • Norm. En. per Res.: -3.248
• 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	-31.5028	-18.2105	-206.877	-256.5903	79	6	5	8725	3	26	47
A-D	0.0	0.7874	-75.948	-75.1606	50	1	2	3206	1	28	30
B-C	-5.9448	8.7331	-79.5543	-76.766	49	5	2	3924	0	31	30
B-D	0.0	0.0	-14.952	-14.952	17	0	1	845	0	8	9
C-D	-16.2442	-16.0593	-218.488	-250.7915	83	8	5	9015	3	30	48

Interface residues

• A-B: ALA101A, ALA101B, ALA57A, ALA57B, ALA88A, ALA88B, ALA91A, ALA91B, ALA95A, ALA95B, ARG24B, ARG59A, ARG59B, ARG66A, ARG66B, ARG85A, ARG85B, ARG86A, ARG86B, ASN64A, ASN64B, ASN70A, ASN70B, ASN83B, ASN98A, ASN98B, ASP61A, ASP61B, ASP63A, ASP63B, ASP72A, ASP72B, ASP96A, ASP96B, GLU46A, GLU46B, GLU82A, GLU82B, GLU89A, GLU89B, GLY68A, GLY68B, HIS56A, HIS56B, ILE65A, ILE65B, ILE87A, ILE87B, LEU119A, LEU119B, LEU131B, LEU60A, LEU60B, LEU69A, LEU69B, LEU73A, LEU73B, LEU93A, LEU93B, LYS71A, LYS71B, LYS92A, LYS92B, PHE67A, PHE67B, PHE94A, PHE94B, SER97A, SER97B, SER99A, SER99B, THR115A, THR115B, TYR58A, TYR58B, VAL122B, VAL55B, VAL90A, VAL90B
• A-D: ALA157A, ALA170D, ALA174D, ALA78D, ARG110D, ARG113D, ARG117D, ARG158D, ARG66A, ARG85D, ASN81D, ASP112D, ASP114D, ASP72A, ASP79A, GLN118D, GLU159A, GLU164A, GLU164D, GLU173D, GLU77D, GLY160A, GLY167D, GLY68A, GLY74A, ILE162A, ILE168D, LEU153A, LEU33D, LEU73A, LYS111D, LYS151A, LYS155A, LYS156A, LYS163A, LYS163D, LYS71A, PHE165A, PHE165D, PHE67A, PHE75A, PRO171D, SER169D, SER76A, THR115D, THR166D, TYR109D, TYR172D, VAL142D, VAL161A
• B-C: ALA157C, ALA170B, ALA174B, ALA78B, ARG110B, ARG113B, ARG158B, ARG66C, ARG80B, ARG85B, ASN70C, ASN81B, ASP112B, ASP114B, ASP72C, ASP79C, GLN118B, GLU159C, GLU164B, GLU173B, GLU77B, GLY160C, GLY167B, GLY68C, GLY74C, ILE162C, ILE168B, LEU153C, LEU33B, LEU73C, LYS111B, LYS151C, LYS156C, LYS163B, LYS163C, LYS71C, PHE165B, PHE165C, PHE67C, PHE75C, PRO171B, SER169B, SER76C, THR115B, THR166B, TYR109B, TYR172B, VAL142B, VAL161C
• B-D: ALA123D, ARG117B, ARG117D, ASP114B, ASP114D, GLN118B, GLN118D, GLU121B, GLU121D, GLU89D, LEU119B, LEU119D, LYS92B, LYS92D, THR115D, VAL122B, VAL122D
• C-D: ALA101C, ALA101D, ALA57C, ALA57D, ALA88C, ALA88D, ALA91C, ALA91D, ALA95C, ALA95D, ARG24D, ARG59C, ARG59D, ARG66C, ARG66D, ARG85C, ARG85D, ARG86C, ARG86D, ASN64C, ASN64D, ASN70C, ASN70D, ASN83C, ASN83D, ASN98C, ASN98D, ASP61C, ASP61D, ASP63C, ASP63D, ASP72C, ASP72D, ASP96C, ASP96D, GLU127D, GLU46C, GLU46D, GLU82C, GLU82D, GLU89C, GLU89D, GLY68C, GLY68D, HIS56C, HIS56D, ILE100C, ILE100D, ILE65C, ILE65D, ILE87C, ILE87D, LEU119C, LEU119D, LEU131C, LEU131D, LEU60C, LEU60D, LEU69C, LEU69D, LEU73C, LEU73D, LEU93C, LEU93D, LYS71C, LYS71D, LYS92C, LYS92D, PHE105C, PHE67C, PHE67D, PHE94C, PHE94D, SER97C, SER97D, SER99C, SER99D, THR115C, TYR58C, TYR58D, VAL122D, VAL90C, VAL90D