3P0J

leishmania major tyrosyl-trna synthetase in complex with tyrosinol, triclinic crystal form 1

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 124
  • Norm. En. per Res.: -2.35
• Hub Node: A(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-B	-51.7842	-1.3767	-217.918	-271.0789	120	17	1	10776	9	84	74
A-C	0.0	0.0	-0.1225	-0.1225	5	0	0	24	0	6	1
A-D	-13.9346	-23.1891	-20.6474	-57.7711	29	1	0	1163	3	20	14
B-D	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	5	3
C-D	-61.1748	-1.9981	-228.227	-291.3998	124	20	1	10771	9	92	78

Interface residues

• A-B: ALA123A, ALA123B, ALA176B, ALA62A, ALA62B, ALA63A, ALA63B, ARG24A, ARG24B, ARG34A, ARG34B, ARG6A, ARG6B, ARG90A, ARG90B, ARG94A, ARG94B, ASN25A, ASN25B, ASN2A, ASN2B, ASP106A, ASP106B, ASP108A, ASP108B, ASP124A, ASP124B, ASP177A, ASP466A, ASP466B, CYS65A, CYS65B, GLU117A, GLU117B, GLU118A, GLU118B, GLU28A, GLU28B, GLU66A, GLU66B, GLY64A, GLY64B, HIS-1A, HIS-1B, HIS0A, HIS0B, HIS122A, HIS122B, ILE119A, ILE119B, ILE27A, ILE27B, ILE33A, ILE33B, ILE97A, ILE97B, LEU111A, LEU111B, LEU113A, LEU113B, LEU174A, LEU174B, LEU26A, LEU26B, LEU32A, LEU32B, LEU77A, LEU86A, LYS101A, LYS101B, LYS109A, LYS109B, LYS175A, LYS175B, LYS29A, LYS29B, LYS30A, LYS30B, MET105B, MET107A, MET107B, MET1A, MET1B, PHE112A, PHE112B, PHE172A, PHE172B, PHE173A, PHE173B, PHE67A, PHE67B, PHE69A, PHE69B, PRO31A, PRO31B, SER115B, SER116A, SER116B, SER121A, SER121B, THR120A, THR120B, THR125A, THR125B, THR3A, THR3B, THR61A, THR61B, TRP114A, TRP114B, TRP70A, TRP70B, TYR126A, TYR126B, TYR36B, VAL110A, VAL110B, VAL68A, VAL68B, VAL71A
• A-C: ARG577A, GLU341C, GLU345C, LYS580A, LYS581A
• A-D: ALA242D, ALA338D, ARG246D, ARG334D, ARG672A, ASN327D, ASN661A, ASN673A, ASP324D, CYS321D, GLN335D, GLU238D, GLU239D, GLU325D, GLU331D, GLY662A, HIS336D, ILE323D, LYS430A, LYS665A, LYS666A, LYS676A, PHE337D, SER320D, SER339D, THR237D, THR292D, THR669A, VAL670A
• B-D: ALA639B, HIS405D
• C-D: ALA123C, ALA123D, ALA62C, ALA62D, ALA63C, ALA63D, ARG24C, ARG24D, ARG34C, ARG34D, ARG6C, ARG6D, ARG90C, ARG90D, ARG94C, ARG94D, ASN25C, ASN25D, ASN2C, ASN2D, ASP106C, ASP106D, ASP108C, ASP108D, ASP124C, ASP124D, ASP177C, ASP177D, ASP466C, ASP466D, ASP73C, CYS65C, CYS65D, GLU117C, GLU117D, GLU118C, GLU118D, GLU28C, GLU28D, GLU66C, GLU66D, GLU87C, GLY64C, GLY64D, HIS-1C, HIS-1D, HIS0C, HIS0D, HIS122C, HIS122D, ILE119C, ILE119D, ILE27C, ILE27D, ILE33C, ILE33D, ILE97C, ILE97D, LEU111C, LEU111D, LEU113C, LEU113D, LEU174C, LEU174D, LEU26C, LEU26D, LEU32C, LEU32D, LEU462C, LEU77C, LEU86C, LYS101C, LYS101D, LYS109C, LYS109D, LYS175C, LYS175D, LYS29C, LYS29D, LYS30C, LYS30D, MET105C, MET105D, MET107C, MET107D, MET1C, MET1D, PHE112C, PHE112D, PHE172C, PHE172D, PHE173C, PHE173D, PHE67C, PHE67D, PHE69C, PHE69D, PRO31C, PRO31D, SER116C, SER116D, SER121C, SER121D, THR120C, THR120D, THR125C, THR125D, THR3C, THR3D, THR61C, THR61D, TRP114C, TRP114D, TRP70C, TRP70D, TYR126C, TYR126D, TYR36D, VAL110C, VAL110D, VAL68C, VAL68D, VAL71C, VAL71D