1M7G

crystal structure of aps kinase from penicillium chrysogenum: ternary structure with adp and aps

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 79
  • Norm. En. per Res.: -3.4824
• Hub Node: A(1)

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	-24.6368	-12.7779	-237.695	-275.1096	79	1	5	8835	4	29	47
B-C	-3.9653	6.6823	-37.9736	-35.2566	31	1	1	1614	0	11	9
C-D	-27.0964	-14.885	-239.581	-281.5623	82	1	5	9202	4	28	46

Interface residues

• A-B: ALA101A, ALA101B, ALA57A, ALA57B, ALA88A, ALA88B, ALA91A, ALA91B, ALA95A, ALA95B, ARG24A, ARG59A, ARG59B, ARG66B, ARG85A, ARG85B, ARG86A, ARG86B, ASN64A, ASN64B, ASN70A, ASN70B, ASN83B, ASN98A, ASN98B, ASP61A, ASP61B, ASP63A, ASP63B, ASP72A, ASP72B, ASP96A, ASP96B, GLN23B, GLU46A, GLU46B, GLU82A, GLU82B, GLU89A, GLU89B, GLY68A, GLY68B, HIS56A, HIS56B, ILE65A, ILE65B, ILE87A, ILE87B, LEU119A, LEU119B, LEU131A, LEU131B, LEU60A, LEU60B, LEU69A, LEU69B, LEU73A, LEU73B, LEU93A, LEU93B, LYS71A, LYS71B, LYS92A, LYS92B, PHE67A, PHE67B, PHE94A, PHE94B, SER97A, SER97B, SER99A, SER99B, THR115B, THR124A, TYR58A, TYR58B, VAL55B, VAL90A, VAL90B
• B-C: ALA11C, ALA174B, ALA176B, ALA9C, ARG110B, ARG14C, ARG17C, ARG21C, ASN177B, ASP114B, ASP139B, GLU16C, GLU173B, HIS181B, HIS8C, LEU12C, LYS183B, LYS203C, PHE7C, PRO141B, PRO171B, PRO175B, PRO178B, SER10C, SER15C, THR13C, THR18C, THR202C, THR6C, TYR137B, TYR172B
• C-D: ALA101C, ALA101D, ALA57C, ALA57D, ALA88C, ALA88D, ALA91C, ALA91D, ALA95C, ALA95D, ARG24C, ARG59C, ARG59D, ARG66D, ARG85C, ARG85D, ARG86C, ARG86D, ASN64C, ASN64D, ASN70C, ASN70D, ASN83C, ASN83D, ASN98C, ASN98D, ASP61C, ASP61D, ASP63C, ASP63D, ASP72C, ASP72D, ASP96C, ASP96D, GLN23D, GLU46C, GLU46D, GLU82C, GLU82D, GLU89C, GLU89D, GLY68C, GLY68D, HIS56C, HIS56D, ILE100D, ILE65C, ILE65D, ILE87C, ILE87D, LEU119C, LEU119D, LEU131C, LEU131D, LEU60C, LEU60D, LEU69C, LEU69D, LEU73C, LEU73D, LEU93C, LEU93D, LYS71C, LYS71D, LYS92C, LYS92D, PHE105D, PHE67C, PHE67D, PHE94C, PHE94D, SER97C, SER97D, SER99C, SER99D, THR115C, THR115D, THR124C, TYR58C, TYR58D, VAL90C, VAL90D