3JU6

crystal structure of dimeric arginine kinase in complex with amppnp and arginine

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 158
  • Norm. En. per Res.: -4.1463
• 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	-154.6157	-92.7542	-407.742	-655.1119	158	24	0	14516	5	76	84
A-C	0.0	-2.0155	-8.9339	-10.9494	14	1	0	402	1	7	10
B-C	-7.175	-2.2615	-25.0035	-34.44	35	1	0	1262	2	24	18
B-D	-12.633	-6.8761	-23.2766	-42.7857	14	1	0	1239	1	6	9
C-D	-128.9528	-79.5855	-406.848	-615.3863	151	25	1	14611	5	76	81

Interface residues

• A-B: ALA11A, ALA11B, ALA131A, ALA131B, ALA143A, ALA143B, ALA198A, ALA198B, ALA2A, ALA2B, ALA41A, ALA41B, ARG138A, ARG138B, ARG141A, ARG141B, ARG142A, ARG142B, ARG186A, ARG186B, ARG190A, ARG190B, ARG199A, ARG199B, ARG205A, ARG205B, ARG38A, ARG38B, ARG50A, ARG50B, ASN17A, ASN17B, ASN3A, ASN3B, ASN54A, ASN54B, ASN58A, ASN58B, ASN5A, ASN5B, ASP13A, ASP13B, ASP14A, ASP14B, ASP200A, ASP200B, ASP203A, ASP203B, ASP49A, ASP49B, ASP57A, ASP57B, ASP69A, ASP69B, CYS137A, CYS137B, GLN53A, GLN53B, GLN6A, GLN6B, GLU140A, GLU140B, GLU19A, GLU19B, GLU70A, GLU71A, GLY129A, GLY129B, GLY196A, GLY196B, GLY204B, GLY20A, GLY45A, GLY45B, GLY55A, GLY55B, GLY68A, GLY68B, HIS135A, HIS135B, HIS21A, HIS21B, ILE144A, ILE144B, ILE52A, ILE52B, LEU132A, LEU132B, LEU25A, LEU25B, LEU29A, LEU29B, LEU48A, LEU48B, LEU4A, LEU4B, LYS12A, LYS12B, LYS146A, LYS146B, LYS168A, LYS168B, LYS260A, LYS260B, LYS7A, LYS7B, LYS8A, LYS8B, PHE15A, PHE15B, PHE18A, PHE18B, PHE192A, PHE192B, PHE201A, PHE201B, PRO10A, PRO10B, PRO134A, PRO134B, PRO16A, PRO16B, PRO187A, PRO187B, PRO202A, PRO202B, PRO43A, PRO43B, PRO59A, PRO59B, SER139A, SER139B, SER165A, SER165B, SER189A, SER189B, SER194A, SER194B, SER44A, SER44B, THR193A, THR193B, THR42A, THR42B, THR47A, THR47B, TYR34A, TYR34B, TYR46A, TYR46B, TYR9A, TYR9B, VAL136A, VAL136B, VAL188A, VAL188B, VAL56A, VAL56B
• A-C: ARG128C, ASN265C, ASN5A, ASP266C, GLU261C, GLU70C, GLY259C, LEU4A, LYS255C, LYS260C, LYS264C, LYS7A, LYS8A, PRO10A
• B-C: ALA41C, ARG128B, ASN265B, ASN265C, ASN96B, ASN96C, ASP256B, ASP266B, ASP266C, ASP39C, ASP78C, GLU261B, GLU71C, GLY129B, GLY259B, GLY45C, HIS267C, LEU37C, LEU4C, LYS252B, LYS255B, LYS260B, LYS36C, LYS7C, LYS93C, PRO43B, PRO43C, SER44C, THR258B, THR42C, THR74B, THR74C, TYR46C, VAL40C, VAL75C
• B-D: ASN5D, ASP256B, ASP39D, GLY259B, HIS253B, ILE254B, LEU4D, LYS252B, LYS255B, LYS257B, LYS260B, LYS7D, LYS8D, THR258B
• C-D: ALA11C, ALA11D, ALA131C, ALA131D, ALA143C, ALA143D, ALA198C, ALA198D, ALA2C, ALA2D, ALA41C, ALA41D, ARG138C, ARG138D, ARG141C, ARG141D, ARG142C, ARG142D, ARG186C, ARG186D, ARG190C, ARG190D, ARG199C, ARG199D, ARG205C, ARG205D, ARG38C, ARG38D, ARG50C, ARG50D, ASN17C, ASN17D, ASN3C, ASN3D, ASN54C, ASN58C, ASN58D, ASN5C, ASN5D, ASP13C, ASP13D, ASP14C, ASP14D, ASP200C, ASP200D, ASP203C, ASP203D, ASP49C, ASP49D, ASP57C, ASP57D, ASP69C, ASP69D, CYS137C, CYS137D, GLN53C, GLN53D, GLN6C, GLN6D, GLU140C, GLU140D, GLU19C, GLU19D, GLY129C, GLY129D, GLY195D, GLY196C, GLY196D, GLY204D, GLY45C, GLY45D, GLY68C, GLY68D, HIS135C, HIS135D, HIS21C, HIS21D, ILE144C, ILE144D, ILE52C, ILE52D, LEU132C, LEU132D, LEU25C, LEU25D, LEU29C, LEU29D, LEU48C, LEU48D, LEU4C, LEU4D, LYS12C, LYS12D, LYS146C, LYS146D, LYS168C, LYS168D, LYS260C, LYS260D, LYS7C, LYS7D, LYS8C, LYS8D, PHE15C, PHE15D, PHE18C, PHE18D, PHE192C, PHE192D, PHE201C, PHE201D, PRO10C, PRO10D, PRO134C, PRO134D, PRO16C, PRO16D, PRO187C, PRO187D, PRO202C, PRO202D, PRO43C, PRO43D, PRO59C, PRO59D, SER139C, SER139D, SER189C, SER189D, SER194C, SER194D, SER44C, SER44D, THR193C, THR193D, THR42C, THR42D, THR47C, THR47D, TYR34C, TYR34D, TYR46C, TYR46D, TYR9C, TYR9D, VAL136C, VAL136D, VAL188C, VAL188D, VAL56C, VAL56D