2PMC

crystal structure of chey-mg(2+) in complex with chez(c15) peptide solved from a p1 crystal

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 52
  • Norm. En. per Res.: -2.218
• Hub Node: A(4)

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	0.0	-7.7731	-107.562	-115.3351	52	9	4	5126	0	18	17
A-C	0.0	27.6649	-34.84	-7.1751	35	0	2	2266	0	14	9
A-D	0.0	0.0	-3.5004	-3.5004	12	0	0	210	0	6	2
A-E	-6.5366	-0.8478	-72.2619	-79.6464	37	2	8	3402	0	6	2
B-C	-15.9648	-35.4562	-29.9859	-81.4069	40	3	0	1854	9	27	27
B-D	0.0	3.8799	-9.5269	-5.647	16	0	0	495	0	3	1
B-F	-6.9046	0.0	-76.3702	-83.2748	38	5	7	3361	0	6	3
C-E	0.0	5.8647	-1.0699	4.7948	8	0	0	148	0	2	5

Interface residues

• A-B: ALA101B, ALA113A, ALA42B, ALA48B, ALA74B, ALA77B, ARG18A, ARG19A, ARG22A, ARG73B, ASN23A, ASN44B, ASN62B, ASP38B, ASP41B, ASP64B, ASP75B, GLN47B, GLU27A, GLU37B, GLU67B, GLY39B, ILE20A, ILE72B, LEU116A, LEU24A, LEU25A, LEU28A, LEU43B, LEU46B, LEU66B, LEU68B, LEU69B, LYS109A, LYS26A, LYS45B, LYS70B, MET17A, MET63B, MET78B, PHE111A, PHE14A, PRO110A, PRO61B, SER15A, SER76B, THR112A, THR115A, THR16A, THR71B, VAL21A, VAL40B
• A-C: ALA114A, ALA48C, ALA88A, ALA90A, ASN44C, ASN62C, ASN94A, ASP13C, ASP38C, ASP41C, ASP64C, GLN47C, GLU118A, GLU37C, GLU67C, GLU89A, GLU93A, GLY39C, ILE95A, LYS109A, LYS119A, LYS45C, LYS91A, LYS92A, MET60C, MET63C, PHE111A, PRO110A, PRO61C, THR112A, THR115A, TYR106A, VAL107A, VAL108A, VAL40C
• A-D: ARG19D, ASN23D, ASN62A, ASP13A, ASP38A, GLU37A, ILE20D, LYS26D, MET63A, PHE14A, PRO61A, THR16D
• A-E: ALA101A, ALA103A, ALA90A, ALA97A, ALA98A, ALA99A, ASN94A, ASP207E, ASP210E, GLN100A, GLU118A, GLU93A, GLY102A, GLY105A, GLY213E, ILE123A, ILE95A, ILE96A, LEU208E, LEU209E, LEU212E, LEU69A, LEU84A, LYS119A, LYS122A, LYS126A, LYS91A, LYS92A, MET85A, PHE214E, SER104A, SER211E, THR87A, TYR106A, VAL107A, VAL108A, VAL83A
• B-C: ALA36B, ALA48B, ALA48C, ARG18B, ARG18C, ARG19B, ARG19C, ARG22B, ARG22C, ASN31B, ASN31C, ASN32B, ASN32C, ASN44B, ASP3C, ASP41B, GLU34B, GLU34C, GLU35B, GLU35C, GLU37B, GLU5B, GLU5C, GLY29C, GLY49B, GLY50B, LEU6C, LYS26B, LYS26C, LYS45B, LYS45C, LYS4B, LYS4C, LYS7B, LYS7C, PHE30C, PHE51B, PHE51C, VAL33B, VAL33C
• B-D: ALA113D, ALA74B, ALA77B, ALA80B, ARG73B, ASN23D, ASP75B, GLU117D, GLU27D, GLY29D, LEU24D, LEU28D, LYS26D, MET78B, SER76B, SER79B
• B-F: ALA101B, ALA103B, ALA90B, ALA97B, ALA98B, ALA99B, ASN94B, ASP207F, ASP210F, GLN100B, GLU118B, GLU93B, GLY102B, GLY105B, GLY213F, ILE123B, ILE95B, ILE96B, LEU208F, LEU209F, LEU212F, LEU69B, LEU84B, LYS119B, LYS122B, LYS126B, LYS91B, LYS92B, MET85B, PHE214F, SER104B, SER211F, THR87B, TRP58B, TYR106B, VAL107B, VAL108B, VAL83B
• C-E: ASN44C, ASN62C, ASP207E, GLU67C, LEU208E, LEU209E, MET63C, VAL40C