3M4P

entamoeba histolytica asparaginyl-trna synthetase (asnrs) in complex with asparaginyl-adenylate

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 343
  • Norm. En. per Res.: -4.1358
• 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	-172.2517	-9.1993	-1237.12	-1418.5709	343	46	26	46399	8	83	71
A-D	0.0	0.0	-4.5376	-4.5376	12	0	0	295	0	5	2
B-D	0.0	4.9199	-54.9202	-50.0003	41	0	0	2384	0	17	21
C-D	-175.5991	-17.2653	-1196.75	-1389.6144	338	44	24	45483	7	83	69

Interface residues

• A-B: ALA199A, ALA199B, ALA20A, ALA20B, ALA214A, ALA214B, ALA21A, ALA228A, ALA228B, ALA238A, ALA238B, ALA34A, ALA34B, ARG138A, ARG138B, ARG143A, ARG143B, ARG154A, ARG154B, ARG162A, ARG162B, ARG18A, ARG18B, ARG227A, ARG227B, ARG232A, ARG409A, ARG409B, ARG444A, ARG444B, ARG448A, ARG448B, ARG50A, ARG50B, ARG76A, ARG76B, ASN123A, ASN123B, ASN137A, ASN137B, ASN168A, ASN168B, ASN196A, ASN196B, ASN384A, ASN384B, ASP120A, ASP120B, ASP167A, ASP167B, ASP254A, ASP254B, ASP400A, ASP400B, ASP51A, ASP51B, CYS221A, CYS221B, CYS414A, CYS414B, CYS440A, CYS440B, CYS449A, CYS449B, CYS78A, CYS78B, GLN133A, GLN133B, GLN136A, GLN136B, GLN148A, GLN148B, GLN149A, GLN149B, GLN152A, GLN152B, GLN158A, GLN158B, GLN174A, GLN174B, GLN193A, GLN193B, GLN230A, GLN230B, GLN407A, GLN407B, GLN408A, GLN408B, GLU116A, GLU116B, GLU122A, GLU122B, GLU145A, GLU145B, GLU156A, GLU156B, GLU172A, GLU172B, GLU197A, GLU197B, GLU210A, GLU210B, GLU229A, GLU229B, GLU239A, GLU239B, GLU424A, GLU424B, GLU447A, GLU447B, GLU450A, GLU450B, GLU77A, GLU77B, GLU81A, GLU81B, GLY115A, GLY115B, GLY217A, GLY217B, GLY32A, GLY32B, GLY412A, GLY412B, GLY52A, GLY52B, GLY54A, GLY54B, HIS139A, HIS139B, HIS166A, HIS166B, HIS169A, HIS169B, HIS236B, HIS242A, HIS242B, HIS274A, HIS274B, HIS416A, HIS416B, ILE114A, ILE114B, ILE119A, ILE119B, ILE124A, ILE124B, ILE125A, ILE140A, ILE140B, ILE142A, ILE142B, ILE157B, ILE173A, ILE173B, ILE178A, ILE178B, ILE213A, ILE213B, ILE250A, ILE250B, LEU121A, LEU121B, LEU151A, LEU151B, LEU153A, LEU153B, LEU189A, LEU189B, LEU192A, LEU192B, LEU201A, LEU201B, LEU207A, LEU207B, LEU209A, LEU209B, LEU216A, LEU216B, LEU223A, LEU223B, LEU237A, LEU237B, LEU241A, LEU241B, LEU247A, LEU247B, LEU441A, LEU441B, LEU446A, LEU446B, LEU49A, LEU49B, LEU80A, LEU80B, LYS163A, LYS163B, LYS180A, LYS180B, LYS191A, LYS191B, LYS218A, LYS218B, LYS31A, LYS31B, LYS410A, LYS410B, MET135A, MET135B, MET222A, MET222B, PHE161A, PHE161B, PHE170A, PHE170B, PHE190A, PHE190B, PHE195A, PHE195B, PHE220A, PHE220B, PHE249A, PHE249B, PHE30A, PHE30B, PRO118A, PRO118B, PRO132A, PRO132B, PRO175A, PRO175B, PRO176A, PRO176B, PRO198A, PRO198B, PRO248A, PRO248B, PRO401A, PRO401B, PRO415A, PRO415B, PRO443A, PRO443B, PRO451A, PRO451B, SER117A, SER117B, SER144A, SER144B, SER155A, SER155B, SER205A, SER205B, SER211A, SER211B, SER215A, SER215B, SER219A, SER219B, SER224A, SER224B, SER225A, SER225B, SER231A, SER231B, SER251A, SER251B, SER413A, SER413B, SER53A, SER53B, SER79A, SER79B, THR147A, THR147B, THR171A, THR171B, THR177A, THR177B, THR181B, THR188A, THR188B, THR202A, THR202B, THR406A, THR406B, THR75A, THR75B, TRP159A, TRP159B, TRP33A, TRP33B, TRP383A, TRP383B, TRP404A, TRP404B, TYR160A, TYR160B, TYR164A, TYR164B, TYR165A, TYR165B, TYR194A, TYR194B, TYR200A, TYR200B, TYR208A, TYR208B, TYR226A, TYR226B, TYR240A, TYR240B, TYR385A, TYR402A, TYR402B, TYR403A, TYR403B, TYR405A, TYR405B, TYR411A, TYR411B, TYR442A, TYR442B, TYR445A, TYR445B, TYR55A, TYR55B, VAL113A, VAL113B, VAL141A, VAL141B, VAL150A, VAL150B, VAL179A, VAL179B, VAL212A, VAL212B, VAL273A, VAL273B, VAL423A, VAL423B, VAL439A, VAL439B
• A-D: ASN196A, ASP313D, GLN193A, GLU197A, GLY308D, HIS307D, ILE309D, LEU310D, LYS312D, LYS314D, PHE195A, PRO315D
• B-D: ALA228B, ALA394B, ARG232B, ARG279D, ASN282D, ASN305D, ASN395B, ASN398B, ASP276D, ASP306D, ASP332D, ASP400B, CYS304D, GLN230B, GLN329D, GLU229B, GLU333D, GLU447B, GLY275D, GLY308D, GLY396B, HIS284D, HIS307D, ILE309D, LEU285D, LEU310D, LEU397B, LEU446B, LYS280D, LYS286D, LYS393B, MET281D, PRO283D, PRO315D, PRO399B, PRO401B, SER231B, THR188B, THR233B, TYR303D, TYR392B
• C-D: ALA199C, ALA199D, ALA20C, ALA20D, ALA214C, ALA214D, ALA228C, ALA228D, ALA238C, ALA238D, ALA34C, ALA34D, ARG138C, ARG138D, ARG143C, ARG143D, ARG154C, ARG154D, ARG162C, ARG162D, ARG18C, ARG18D, ARG227C, ARG227D, ARG232C, ARG232D, ARG409C, ARG409D, ARG444C, ARG444D, ARG448C, ARG448D, ARG50C, ARG50D, ARG76C, ARG76D, ASN123C, ASN123D, ASN137C, ASN137D, ASN168C, ASN168D, ASN16C, ASN196C, ASN196D, ASN384C, ASN384D, ASP120C, ASP120D, ASP167C, ASP167D, ASP254C, ASP254D, ASP400C, ASP400D, ASP51C, ASP51D, CYS221C, CYS221D, CYS414C, CYS414D, CYS440C, CYS440D, CYS449C, CYS449D, CYS78C, CYS78D, GLN133C, GLN133D, GLN136C, GLN136D, GLN148C, GLN148D, GLN149C, GLN149D, GLN152C, GLN152D, GLN158C, GLN158D, GLN174C, GLN174D, GLN193C, GLN193D, GLN230C, GLN230D, GLN407C, GLN407D, GLN408C, GLN408D, GLU116C, GLU116D, GLU122C, GLU122D, GLU145C, GLU145D, GLU156C, GLU156D, GLU172C, GLU172D, GLU197C, GLU197D, GLU210C, GLU210D, GLU229C, GLU229D, GLU239C, GLU239D, GLU424C, GLU424D, GLU447C, GLU447D, GLU450C, GLU450D, GLU77C, GLU77D, GLU81C, GLU81D, GLY115C, GLY115D, GLY217C, GLY217D, GLY32C, GLY32D, GLY412C, GLY412D, GLY52C, GLY52D, GLY54D, HIS139C, HIS139D, HIS166C, HIS166D, HIS169C, HIS169D, HIS242C, HIS242D, HIS274C, HIS274D, HIS416C, HIS416D, ILE114C, ILE114D, ILE119C, ILE119D, ILE124C, ILE124D, ILE140C, ILE140D, ILE142C, ILE142D, ILE157D, ILE173C, ILE173D, ILE178C, ILE178D, ILE213C, ILE213D, ILE250C, ILE250D, LEU121C, LEU121D, LEU151C, LEU151D, LEU153C, LEU153D, LEU189C, LEU189D, LEU192C, LEU192D, LEU201C, LEU201D, LEU207C, LEU207D, LEU209C, LEU209D, LEU216C, LEU216D, LEU223C, LEU223D, LEU237C, LEU237D, LEU241C, LEU241D, LEU247C, LEU247D, LEU441C, LEU441D, LEU446C, LEU446D, LEU49C, LEU49D, LEU80C, LEU80D, LYS163C, LYS163D, LYS180C, LYS180D, LYS191C, LYS191D, LYS218C, LYS218D, LYS31C, LYS31D, LYS410C, LYS410D, MET135C, MET135D, MET222C, MET222D, PHE161C, PHE161D, PHE170C, PHE170D, PHE190C, PHE190D, PHE195C, PHE195D, PHE220C, PHE220D, PHE249C, PHE249D, PHE30C, PHE30D, PRO118C, PRO118D, PRO175C, PRO175D, PRO176C, PRO176D, PRO198C, PRO198D, PRO248C, PRO248D, PRO401C, PRO401D, PRO415C, PRO415D, PRO443C, PRO443D, PRO451C, PRO451D, SER117C, SER117D, SER144C, SER144D, SER155C, SER155D, SER205C, SER205D, SER211C, SER211D, SER215C, SER215D, SER219C, SER219D, SER224C, SER224D, SER225C, SER225D, SER231C, SER231D, SER251D, SER413C, SER413D, SER53C, SER53D, SER79C, SER79D, THR147C, THR147D, THR171C, THR171D, THR177C, THR177D, THR181D, THR188C, THR188D, THR202C, THR202D, THR406C, THR406D, THR75C, THR75D, TRP159C, TRP159D, TRP33C, TRP33D, TRP383C, TRP383D, TRP404C, TRP404D, TYR160C, TYR160D, TYR164C, TYR164D, TYR165C, TYR165D, TYR194C, TYR194D, TYR200C, TYR200D, TYR208C, TYR208D, TYR226C, TYR226D, TYR240C, TYR240D, TYR385D, TYR402C, TYR402D, TYR403C, TYR403D, TYR405C, TYR405D, TYR411C, TYR411D, TYR442C, TYR442D, TYR445C, TYR445D, TYR55C, TYR55D, VAL113C, VAL113D, VAL141C, VAL141D, VAL150C, VAL150D, VAL179C, VAL179D, VAL212C, VAL212D, VAL273C, VAL273D, VAL423C, VAL423D, VAL439C, VAL439D