3C4M

structure of human parathyroid hormone in complex with the extracellular domain of its g-protein-coupled receptor (pth1r)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 73
  • Norm. En. per Res.: -4.6502
• 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	-58.0608	-170.2395	-372.43	-600.7303	198	11	18	16014	8	65	65
A-C	-17.5924	-56.7894	-265.084	-339.4657	73	8	7	10424	2	22	28
B-D	-22.6915	-52.914	-269.796	-345.4015	75	4	7	10618	2	22	28

Interface residues

• A-B: ALA-267A, ALA-267B, ALA-273A, ALA-273B, ALA-292A, ALA-292B, ALA-293A, ALA-293B, ALA-6B, ALA-75A, ALA-75B, ALA-76A, ALA-76B, ALA122A, ALA122B, ALA128A, ALA128B, ALA44A, ALA46A, ALA46B, ARG-246A, ARG-246B, ARG106A, ARG106B, ARG150A, ARG150B, ARG43A, ARG43B, ARG51A, ARG51B, ASN-171A, ASN-171B, ASN-244A, ASN-244B, ASN-72A, ASN-72B, ASN-77A, ASN-77B, ASP-289A, ASP-289B, ASP133A, ASP133B, ASP30A, CYS108A, CYS108B, CYS117A, CYS117B, CYS131A, CYS131B, CYS148B, CYS48A, CYS48B, GLN-19B, GLN-272A, GLN-272B, GLN-295A, GLN-295B, GLN-9A, GLN-9B, GLN37A, GLN37B, GLN47A, GLN47B, GLN57B, GLU-16A, GLU-172A, GLU-172B, GLU-266A, GLU-266B, GLU-340A, GLU-340B, GLU-341A, GLU-70B, GLU125A, GLU125B, GLU27A, GLU27B, GLU35A, GLU35B, GLU36A, GLU36B, GLU54A, GLU54B, GLY-170A, GLY-170B, GLY-243A, GLY-243B, GLY-270A, GLY-270B, GLY-275A, GLY-275B, GLY-288A, GLY-290A, GLY-290B, GLY105B, GLY121A, GLY121B, GLY124A, GLY124B, GLY142A, GLY142B, HIS140A, HIS140B, HIS143A, HIS143B, HIS42A, HIS42B, ILE-265B, ILE-342A, ILE38A, ILE38B, LEU-241B, LEU-268A, LEU-268B, LEU-269A, LEU-269B, LEU109A, LEU109B, LEU120A, LEU120B, LEU40A, LEU40B, LEU52A, LEU52B, LEU56B, LYS-169A, LYS-169B, LYS-18B, LYS-242A, LYS-242B, LYS-261A, LYS-261B, LYS-343A, LYS-71A, LYS-71B, LYS141A, LYS141B, LYS34A, LYS50A, LYS50B, MET32A, MET32B, PHE-297A, PHE-297B, PHE28B, PHE39A, PHE39B, PRO-10A, PRO-10B, PRO-296A, PRO-296B, PRO-73A, PRO-73B, PRO107A, PRO107B, PRO110A, PRO110B, PRO119A, PRO119B, PRO123A, PRO123B, PRO130A, PRO130B, PRO132A, SER-271A, SER-271B, SER-74A, SER-74B, THR-264A, THR-264B, THR-291A, THR-291B, THR33A, THR33B, TRP118A, TRP118B, TRP154A, TYR-173A, TYR-173B, TYR-245A, TYR-245B, TYR-274A, TYR-274B, TYR134A, TYR145A, TYR145B, VAL-294A, VAL-294B, VAL126A, VAL126B, VAL127A, VAL127B, VAL129A, VAL129B, VAL31A, VAL31B, VAL55A, VAL55B
• A-C: ALA144A, ALA165A, ALA25A, ALA26A, ARG146A, ARG162A, ARG20C, ARG25C, ASN139A, ASN161A, ASN166A, ASN16C, ASN33C, ASP113A, ASP137A, ASP29A, ASP30A, ASP30C, CYS170A, GLN29C, GLN37A, GLN45A, GLU111A, GLU19C, GLU22C, GLU27A, GLU35A, GLU36A, HIS114A, HIS160A, HIS32C, HIS42A, ILE-166A, ILE115A, ILE135A, ILE38A, LEU116A, LEU156A, LEU15C, LEU174A, LEU24C, LEU28C, LEU40A, LEU41A, LYS-165A, LYS26C, LYS27C, LYS34A, MET18C, MET32A, PHE138A, PHE173A, PHE28A, PHE34C, PHE39A, PRO132A, SER168A, SER17C, THR163A, THR33A, TRP112A, TRP118A, TRP154A, TRP164A, TRP23C, TYR134A, TYR136A, TYR167A, VAL157A, VAL171A, VAL21C, VAL31A, VAL31C
• B-D: ALA144B, ALA165B, ALA25B, ALA26B, ARG146B, ARG162B, ARG20D, ARG25D, ASN139B, ASN161B, ASN166B, ASN16D, ASN33D, ASP113B, ASP137B, ASP29B, ASP30B, ASP30D, CYS131B, CYS170B, GLN29D, GLN37B, GLN45B, GLU111B, GLU19D, GLU22D, GLU27B, GLU35B, GLU36B, HIS114B, HIS160B, HIS32D, HIS42B, ILE-166B, ILE115B, ILE135B, ILE38B, LEU116B, LEU156B, LEU15D, LEU174B, LEU24D, LEU28D, LEU40B, LEU41B, LYS-165B, LYS26D, LYS27D, LYS34B, MET18D, MET32B, PHE138B, PHE173B, PHE28B, PHE34D, PHE39B, PRO132B, SER168B, SER17D, THR163B, THR175B, THR33B, TRP112B, TRP118B, TRP154B, TRP164B, TRP23D, TYR134B, TYR136B, TYR167B, VAL157B, VAL171B, VAL21D, VAL31B, VAL31D