2APH

crystal structure of human pgrp-ialphac in complex with muramyl pentapeptide

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 32
  • Norm. En. per Res.: -1.6919
• 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	-3.6327	0.0	-26.1643	-29.797	25	2	0	960	0	3	2
A-C	-3.2703	2.824	-50.4167	-50.863	33	1	0	2111	0	3	4
B-C	0.0	-5.8323	-6.0155	-11.8478	10	0	0	313	0	1	2
B-D	-2.4931	2.1703	-53.8175	-54.1402	32	0	0	2158	0	3	4

Interface residues

• A-B: ARG190A, ARG235A, ASN236A, ASN321B, ASP233A, ASP318B, GLY267A, GLY267B, GLY315B, HIS316B, HIS341B, ILE322B, LEU312B, LYS340B, MET232A, MET314B, PHE237A, PHE268B, SER317B, THR234A, TYR203B, TYR266A, TYR266B, VAL319B, VAL320B
• A-C: ALA210A, ALA276A, ALA884C, ARG235A, ASN236A, ASN269A, ASP239A, CYS238A, GLN261A, GLY241A, GLY262A, GLY267A, HIS208A, HIS231A, HIS264A, HIS316A, ILE207A, ILE227A, ILE240A, ILE322A, LEU323A, LYS886C, MET232A, PHE230A, PHE237A, PHE268A, SER263A, SER324A, THR209A, THR265A, TYR242A, TYR266A, VAL320A
• B-C: ASP318B, GLY315B, HIS341B, LYS340B, LYS886C, MET314B, SER317B, TYR330B, VAL319B, VAL320B
• B-D: ALA210B, ALA276B, ALA995D, ARG235B, ASN236B, ASN269B, ASP239B, CYS238B, GLN261B, GLY241B, GLY262B, GLY267B, HIS208B, HIS231B, HIS264B, HIS316B, ILE207B, ILE227B, ILE240B, ILE322B, LEU323B, LYS997D, MET232B, PHE230B, PHE237B, SER263B, SER324B, THR209B, THR265B, TYR242B, TYR266B, VAL320B