1M7H

crystal structure of aps kinase from penicillium chrysogenum: structure with aps soaked out of one dimer

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 165
  • Norm. En. per Res.: -4.879
• 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	-103.7072	-95.2678	-606.058	-805.033	165	14	13	22286	12	71	97
B-C	0.0	0.0	-0.0007	-0.0007	2	0	0	2	0	0	0
C-D	-84.6996	-73.3769	-579.451	-737.5275	163	29	14	22205	10	70	95

Interface residues

• A-B: ALA101A, ALA101B, ALA11A, ALA11B, ALA42A, ALA42B, ALA57A, ALA57B, ALA88A, ALA88B, ALA91A, ALA91B, ALA95A, ALA95B, ALA9A, ALA9B, ARG14A, ARG14B, ARG17A, ARG17B, ARG21A, ARG21B, ARG24A, ARG51A, ARG51B, ARG53A, ARG53B, ARG54A, ARG54B, ARG59A, ARG59B, ARG66A, ARG66B, ARG85A, ARG85B, ARG86A, ARG86B, ASN22A, ASN22B, ASN64A, ASN64B, ASN70A, ASN70B, ASN98A, ASN98B, ASP191A, ASP191B, ASP52A, ASP52B, ASP61A, ASP61B, ASP63A, ASP63B, ASP72A, ASP72B, ASP96A, ASP96B, GLN118A, GLN118B, GLN190A, GLN190B, GLN23A, GLN23B, GLN48A, GLN48B, GLU16A, GLU16B, GLU19A, GLU19B, GLU44A, GLU44B, GLU46A, GLU46B, GLU82A, GLU82B, GLU89A, GLU89B, GLY25A, GLY25B, GLY68A, GLY68B, HIS47A, HIS47B, HIS56A, HIS56B, HIS8A, HIS8B, ILE100A, ILE100B, ILE102A, ILE102B, ILE65A, ILE65B, ILE87A, ILE87B, LEU119A, LEU119B, LEU12A, LEU12B, LEU131A, LEU131B, LEU20A, LEU20B, LEU41A, LEU41B, LEU45A, LEU45B, LEU49A, LEU49B, LEU60A, LEU60B, LEU69A, LEU69B, LEU73A, LEU73B, LEU93A, LEU93B, LYS71A, LYS71B, LYS92A, LYS92B, PHE67A, PHE67B, PHE7A, PHE7B, PHE94A, PHE94B, PRO125A, PRO188A, PRO188B, PRO207A, PRO207B, SER10A, SER10B, SER15B, SER39A, SER39B, SER97A, SER97B, SER99A, SER99B, THR115A, THR115B, THR124A, THR13A, THR13B, THR18A, THR18B, THR40A, THR40B, THR6B, TYR58A, TYR58B, VAL189A, VAL189B, VAL193A, VAL193B, VAL43A, VAL43B, VAL50A, VAL50B, VAL55A, VAL55B, VAL90A, VAL90B
• B-C: ALA176B, LYS203C
• C-D: ALA101D, ALA11C, ALA11D, ALA42C, ALA42D, ALA57C, ALA57D, ALA88C, ALA88D, ALA91C, ALA91D, ALA95C, ALA95D, ALA9C, ALA9D, ARG14C, ARG14D, ARG17C, ARG17D, ARG21C, ARG21D, ARG24C, ARG51C, ARG51D, ARG53C, ARG53D, ARG54C, ARG54D, ARG59C, ARG59D, ARG66C, ARG66D, ARG85C, ARG85D, ARG86C, ARG86D, ASN22C, ASN22D, ASN64C, ASN64D, ASN70C, ASN70D, ASN98C, ASN98D, ASP191C, ASP191D, ASP52C, ASP52D, ASP61C, ASP61D, ASP63C, ASP63D, ASP72C, ASP72D, ASP96C, ASP96D, GLN118C, GLN190C, GLN190D, GLN23C, GLN23D, GLN48C, GLN48D, GLU16C, GLU16D, GLU19C, GLU19D, GLU44C, GLU44D, GLU46C, GLU46D, GLU82C, GLU82D, GLU89C, GLU89D, GLY25C, GLY25D, GLY68C, GLY68D, HIS47C, HIS47D, HIS56C, HIS56D, HIS8C, HIS8D, ILE100C, ILE100D, ILE102C, ILE102D, ILE65C, ILE65D, ILE87C, ILE87D, LEU119C, LEU119D, LEU12C, LEU12D, LEU131C, LEU131D, LEU20C, LEU20D, LEU41C, LEU41D, LEU45C, LEU45D, LEU49C, LEU49D, LEU60C, LEU60D, LEU69C, LEU69D, LEU73C, LEU73D, LEU93C, LEU93D, LYS71C, LYS71D, LYS92C, LYS92D, PHE67C, PHE67D, PHE7C, PHE7D, PHE94C, PHE94D, PRO125C, PRO188C, PRO188D, PRO207D, SER10C, SER10D, SER39C, SER39D, SER97C, SER97D, SER99C, SER99D, THR115C, THR115D, THR124C, THR13C, THR13D, THR18C, THR18D, THR40C, THR40D, THR6C, THR6D, TYR58C, TYR58D, VAL122C, VAL189C, VAL189D, VAL193C, VAL193D, VAL43C, VAL43D, VAL50C, VAL50D, VAL55C, VAL55D, VAL90C, VAL90D