3G43

crystal structure of the calmodulin-bound cav1.2 c-terminal regulatory domain dimer

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 78
  • Norm. En. per Res.: -4.5649
• Hub Node: C(3)

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-D	0.0	0.0	-0.0344	-0.0344	4	0	0	7	0	2	1
B-C	0.0	14.5033	-13.2067	1.2966	20	0	0	559	1	18	18
B-E	-9.2905	-105.5605	-370.339	-485.19	112	18	13	15232	9	44	21
C-D	0.0	18.4645	-6.7043	11.7602	8	0	0	277	0	12	23
C-E	-10.8124	-41.4594	-238.581	-290.8528	82	19	3	10738	3	54	26
C-F	-53.6161	3.6642	-202.495	-252.4469	81	22	7	9447	2	19	24
D-E	-53.6845	-18.0083	-197.383	-269.0758	83	21	5	9024	3	18	24
D-F	-29.5872	-56.9625	-269.515	-356.0647	78	23	5	11495	9	53	31
E-F	0.0	13.8866	-142.14	-128.2534	77	0	9	7957	1	20	29

Interface residues

• A-D: ASP50A, GLN49A, HIS107D, LYS94D
• B-C: ALA103B, ARG37B, ARG74C, ARG86C, ASN42B, ASN97B, ASP93B, ASP95B, GLN41B, GLU104B, GLU82C, GLU83C, GLU84C, GLU87C, GLY40B, GLY96B, HIS107B, LYS77C, LYS94B, SER81C
• B-E: ALA10B, ALA128B, ALA147B, ALA15B, ALA1668E, ALA73B, ALA88B, ARG106B, ARG126B, ARG1677E, ARG1682E, ARG74B, ARG86B, ARG90B, ASN111B, ASN42B, ASN53B, ASP122B, ASP20B, ASP50B, ASP56B, ASP78B, ASP93B, GLN1673E, GLN41B, GLN8B, GLU104B, GLU114B, GLU119B, GLU11B, GLU120B, GLU123B, GLU127B, GLU14B, GLU1674E, GLU31B, GLU47B, GLU54B, GLU7B, GLU82B, GLU83B, GLU84B, GLU87B, GLY113B, GLY1664E, HIS107B, ILE100B, ILE125B, ILE1672E, ILE27B, ILE52B, ILE63B, ILE85B, ILE9B, LEU105B, LEU112B, LEU116B, LEU1671E, LEU18B, LEU32B, LEU39B, LEU48B, LYS115B, LYS13B, LYS148B, LYS1665E, LYS1678E, LYS1680E, LYS1681E, LYS75B, LYS77B, MET109B, MET124B, MET144B, MET145B, MET36B, MET51B, MET71B, MET72B, MET76B, PHE12B, PHE141B, PHE1666E, PHE1670E, PHE1676E, PHE1679E, PHE16B, PHE19B, PHE68B, PHE89B, PHE92B, PRO43B, SER17B, SER81B, THR110B, THR117B, THR146B, THR1662E, THR1669E, THR28B, THR29B, THR44B, THR79B, TYR1667E, TYR1675E, VAL108B, VAL121B, VAL136B, VAL1663E, VAL35B, VAL55B, VAL91B
• C-D: ARG126C, ARG126D, ASP122C, ASP122D, GLU119C, GLU123C, GLU123D, GLU127D
• C-E: ALA102C, ALA128C, ALA147C, ALA15C, ALA1635E, ALA88C, ARG126C, ARG1634E, ARG1643E, ARG86C, ARG90C, ASN111C, ASN1630E, ASP122C, ASP129C, ASP1650E, ASP78C, ASP80C, ASP93C, GLN143C, GLN1651E, GLN8C, GLU114C, GLU119C, GLU11C, GLU120C, GLU123C, GLU127C, GLU14C, GLU1631E, GLU7C, GLU83C, GLU84C, GLU87C, GLY113C, ILE100C, ILE125C, ILE130C, ILE1636E, ILE1637E, ILE1640E, ILE85C, LEU105C, LEU112C, LEU116C, LEU1633E, LEU1648E, LEU1649E, LYS115C, LYS148C, LYS1638E, LYS1639E, LYS1642E, LYS1647E, LYS75C, LYS77C, LYS94C, MET109C, MET124C, MET144C, MET145C, MET1646E, MET72C, MET76C, PHE12C, PHE141C, PHE89C, PHE92C, SER101C, SER1645E, SER81C, THR146C, THR1644E, THR79C, TRP1641E, VAL108C, VAL121C, VAL136C, VAL142C, VAL1652E, VAL1653E, VAL91C
• C-F: ALA10C, ALA15C, ALA1612F, ALA1617F, ALA1629F, ALA73C, ARG126C, ARG1615F, ARG1619F, ARG1634F, ARG37C, ARG74C, ASN1625F, ASN1630F, ASN53C, ASP50C, ASP56C, GLN1628F, GLN41C, GLN8C, GLU114C, GLU119C, GLU11C, GLU120C, GLU123C, GLU14C, GLU1623F, GLU1627F, GLU31C, GLU47C, GLU54C, GLU67C, GLY113C, GLY1607F, GLY1624F, GLY33C, ILE1620F, ILE27C, ILE52C, ILE63C, LEU112C, LEU116C, LEU1610F, LEU1613F, LEU1618F, LEU1626F, LEU1633F, LEU18C, LEU32C, LEU39C, LEU48C, LYS115C, LYS13C, LYS1621F, LYS75C, LYS77C, MET109C, MET124C, MET36C, MET51C, MET71C, MET72C, MET76C, PHE12C, PHE1611F, PHE16C, PHE19C, PHE68C, PRO43C, SER1608F, SER17C, SER38C, THR117C, THR1609F, THR1616F, THR1622F, THR34C, VAL121C, VAL1614F, VAL35C, VAL55C
• D-E: ALA10D, ALA15D, ALA1612E, ALA1617E, ALA1629E, ALA46D, ALA73D, ARG126D, ARG1615E, ARG1619E, ARG1634E, ARG37D, ARG74D, ASN1625E, ASN1630E, ASN53D, ASP50D, ASP56D, GLN41D, GLN49D, GLN8D, GLU114D, GLU119D, GLU11D, GLU120D, GLU123D, GLU14D, GLU1623E, GLU1627E, GLU31D, GLU47D, GLU54D, GLU67D, GLY113D, GLY1607E, GLY1624E, GLY33D, ILE1620E, ILE27D, ILE52D, ILE63D, LEU112D, LEU116D, LEU1610E, LEU1613E, LEU1618E, LEU1626E, LEU1633E, LEU18D, LEU32D, LEU39D, LEU48D, LYS115D, LYS13D, LYS1621E, LYS75D, LYS77D, MET109D, MET124D, MET36D, MET51D, MET71D, MET72D, MET76D, PHE12D, PHE1611E, PHE16D, PHE19D, PHE68D, PRO43D, SER1608E, SER17D, SER38D, THR117D, THR1609E, THR1616E, THR1622E, THR34D, THR79D, VAL121D, VAL1614E, VAL35D, VAL55D
• D-F: ALA102D, ALA128D, ALA147D, ALA1635F, ALA88D, ARG126D, ARG1634F, ARG1643F, ARG86D, ARG90D, ASN111D, ASN1630F, ASP122D, ASP129D, ASP1650F, ASP78D, ASP80D, ASP93D, GLN143D, GLN1651F, GLN8D, GLU104D, GLU114D, GLU11D, GLU120D, GLU123D, GLU127D, GLU140D, GLU1631F, GLU7D, GLU83D, GLU84D, GLU87D, ILE100D, ILE125D, ILE130D, ILE1636F, ILE1637F, ILE1640F, ILE85D, LEU105D, LEU112D, LEU116D, LEU1633F, LEU1648F, LEU1649F, LEU4D, LYS148D, LYS1638F, LYS1639F, LYS1642F, LYS1647F, LYS75D, LYS77D, MET109D, MET124D, MET144D, MET145D, MET1646F, MET72D, MET76D, PHE12D, PHE141D, PHE89D, PHE92D, SER101D, SER1645F, SER81D, THR146D, THR1644F, THR5D, THR79D, TRP1641F, VAL108D, VAL121D, VAL136D, VAL142D, VAL91D
• E-F: ALA1612E, ALA1612F, ALA1617E, ALA1629E, ALA1629F, ALA1635E, ALA1635F, ARG1615E, ARG1615F, ARG1619E, ARG1619F, ARG1634E, ARG1634F, ARG1643E, ARG1643F, ASN1625E, ASN1625F, ASN1630E, ASN1630F, ASP1650E, ASP1650F, GLN1628E, GLN1628F, GLN1651E, GLN1651F, GLU1623E, GLU1623F, GLU1627E, GLU1627F, GLU1631E, GLU1631F, GLU1632E, GLU1632F, GLY1624E, GLY1624F, ILE1620E, ILE1636E, ILE1636F, ILE1637E, ILE1637F, ILE1640E, ILE1640F, LEU1618E, LEU1618F, LEU1626E, LEU1626F, LEU1633E, LEU1633F, LEU1648E, LEU1648F, LEU1649E, LEU1649F, LYS1621E, LYS1621F, LYS1638E, LYS1638F, LYS1639E, LYS1639F, LYS1642F, LYS1647E, LYS1647F, MET1646E, MET1646F, PHE1611E, PHE1611F, SER1608E, SER1645F, THR1616E, THR1616F, THR1622E, THR1622F, THR1644E, THR1644F, TRP1641E, TRP1641F, VAL1614E, VAL1614F