3M4S

crystal structure of a putative endoribonuclease l-psp from entamoeba histolytica, orthorhombic form

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 95
  • Norm. En. per Res.: -3.9746
• 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-B	-73.5061	-18.8154	-282.025	-374.3465	96	11	23	11031	1	10	7
A-C	-67.0686	-17.9715	-292.544	-377.5841	95	14	22	11438	2	11	7
B-C	-54.1415	-17.9385	-277.034	-349.114	96	12	22	11077	2	10	8
C-D	0.0	-4.6345	-3.3994	-8.0339	24	0	0	518	0	15	11
C-E	-2.7159	0.0	-11.1805	-13.8964	12	0	0	427	0	6	4
C-F	0.0	-6.3159	-9.9446	-16.2605	19	0	0	589	1	7	6
D-E	-59.0445	-15.6608	-271.512	-346.2173	94	7	22	10773	1	10	8
D-F	-55.6404	-15.9947	-262.916	-334.5511	95	13	23	10764	1	8	7
E-F	-69.0234	-17.0556	-273.165	-359.2441	95	12	22	11263	1	10	7

Interface residues

• A-B: ALA104A, ALA106A, ALA109A, ALA109B, ALA110A, ALA110B, ALA111A, ALA111B, ALA112A, ALA112B, ALA117B, ALA125A, ALA15B, ALA18B, ALA22B, ALA82A, ALA82B, ALA95A, ALA97A, ARG105A, ASN100A, ASN26A, ASN26B, ASN91A, ASP72A, ASP83A, CYS107A, CYS123B, CYS25A, CYS25B, CYS31B, CYS79A, GLN21B, GLN34B, GLU120B, GLU122A, GLU122B, GLU96A, GLY116B, GLY17B, GLY27A, GLY33B, GLY92A, GLY99A, HIS101A, ILE124A, ILE124B, ILE23B, ILE24B, ILE35B, ILE84A, LEU113B, LEU127A, LEU4B, LEU80A, LEU80B, LEU81A, LEU81B, LYS102A, LYS115B, LYS3B, LYS73A, LYS76A, LYS76B, LYS85A, MET28A, MET28B, MET71A, PHE108A, PHE108B, PHE87A, PHE98A, PRO103A, PRO114B, SER20B, SER32B, SER69A, SER70A, THR126A, THR5B, THR77A, THR78A, THR78B, TYR19B, TYR30A, TYR30B, TYR94A, VAL121B, VAL16B, VAL29A, VAL29B, VAL63B, VAL6B, VAL74A, VAL75A, VAL7B
• A-C: ALA104C, ALA106C, ALA109A, ALA109C, ALA110A, ALA110C, ALA111A, ALA111C, ALA112A, ALA112C, ALA117A, ALA125C, ALA15A, ALA18A, ALA22A, ALA82A, ALA82C, ALA95C, ALA97C, ARG105C, ASN100C, ASN26A, ASN26C, ASN91C, ASP72C, ASP83C, CYS107C, CYS123A, CYS25A, CYS25C, CYS31A, CYS79C, GLN21A, GLN34A, GLU120A, GLU122A, GLU122C, GLU96C, GLY116A, GLY17A, GLY27C, GLY33A, GLY92C, GLY99C, HIS101C, ILE124A, ILE124C, ILE23A, ILE24A, ILE35A, ILE84C, LEU113A, LEU127C, LEU4A, LEU80A, LEU80C, LEU81A, LEU81C, LYS102C, LYS115A, LYS3A, LYS73C, LYS76C, LYS85C, MET28A, MET28C, MET57C, MET71C, PHE108A, PHE108C, PHE87C, PHE98C, PRO103C, PRO114A, SER20A, SER32A, SER69C, SER70C, THR126C, THR5A, THR77C, THR78A, THR78C, TYR19A, TYR30A, TYR30C, TYR94C, VAL121A, VAL16A, VAL29A, VAL63A, VAL6A, VAL74C, VAL75C, VAL7A
• B-C: ALA104B, ALA106B, ALA109B, ALA109C, ALA110B, ALA110C, ALA111B, ALA111C, ALA112B, ALA112C, ALA117C, ALA125B, ALA15C, ALA18C, ALA22C, ALA82B, ALA82C, ALA95B, ALA97B, ARG105B, ASN100B, ASN26B, ASN26C, ASN91B, ASP72B, ASP83B, CYS107B, CYS123C, CYS25C, CYS31C, CYS79B, GLN21C, GLN34C, GLU120C, GLU122B, GLU122C, GLU14C, GLU96B, GLY116C, GLY17C, GLY27B, GLY33C, GLY92B, GLY99B, HIS101B, ILE124B, ILE124C, ILE23C, ILE24C, ILE35C, ILE84B, LEU113C, LEU127B, LEU4C, LEU80B, LEU80C, LEU81B, LEU81C, LYS102B, LYS115C, LYS3C, LYS73B, LYS76B, LYS76C, LYS85B, MET28B, MET28C, MET71B, PHE108B, PHE108C, PHE87B, PHE98B, PRO103B, PRO114C, SER20C, SER32C, SER69B, SER70B, THR126B, THR5C, THR77B, THR78B, THR78C, TYR19C, TYR30B, TYR30C, TYR94B, VAL121C, VAL16C, VAL29B, VAL29C, VAL63C, VAL6C, VAL74B, VAL75B, VAL7C
• C-D: ALA109D, ALA110D, ALA111D, ALA112D, ALA82D, ASP83D, ASP86D, GLU50D, GLU65C, GLY116D, ILE49D, ILE84D, LEU118D, LEU11C, LYS40C, LYS47D, LYS61C, LYS85D, PRO10C, SER70C, THR48D, THR58C, TYR62C, VAL89D
• C-E: ALA109E, ALA111E, ALA112E, ALA82E, ASN100C, ASP83E, ASP86E, GLY99C, ILE84E, LYS102C, LYS61C, LYS85E
• C-F: ALA111F, ALA112F, ALA67C, ALA82F, ASN100C, ASP72C, ASP83F, ASP86F, GLU65C, GLU66C, GLY68C, GLY99C, ILE84F, LEU127C, LEU64C, LYS73C, LYS85F, SER69C, SER70C
• D-E: ALA104D, ALA106D, ALA109D, ALA109E, ALA110D, ALA110E, ALA111D, ALA111E, ALA112D, ALA112E, ALA117E, ALA125D, ALA15E, ALA18E, ALA22E, ALA82D, ALA82E, ALA95D, ARG105D, ASN100D, ASN26D, ASN26E, ASN91D, ASP72D, ASP83D, CYS107D, CYS123E, CYS25D, CYS25E, CYS31E, CYS79D, GLN21E, GLN34E, GLU120E, GLU122D, GLU122E, GLU96D, GLY116E, GLY17E, GLY27D, GLY33E, GLY92D, GLY99D, HIS101D, ILE124D, ILE124E, ILE23E, ILE24E, ILE35E, ILE84D, LEU113E, LEU127D, LEU4E, LEU80D, LEU80E, LEU81D, LEU81E, LYS102D, LYS115E, LYS3E, LYS73D, LYS76D, LYS85D, MET28D, MET28E, MET71D, PHE108D, PHE108E, PHE87D, PHE98D, PRO103D, PRO114E, SER20E, SER32E, SER69D, SER70D, THR126D, THR5E, THR77D, THR78D, THR78E, TYR19E, TYR30D, TYR30E, TYR94D, VAL121E, VAL16E, VAL29D, VAL29E, VAL63E, VAL6E, VAL74D, VAL75D, VAL7E
• D-F: ALA104F, ALA106F, ALA109D, ALA109F, ALA110D, ALA110F, ALA111D, ALA111F, ALA112D, ALA112F, ALA117D, ALA125F, ALA15D, ALA18D, ALA22D, ALA82D, ALA82F, ALA95F, ALA97F, ARG105F, ASN100F, ASN26D, ASN26F, ASN91F, ASP72F, ASP83F, CYS107F, CYS123D, CYS25D, CYS31D, CYS79F, GLN21D, GLN34D, GLU120D, GLU122D, GLU122F, GLU96F, GLY116D, GLY17D, GLY27F, GLY33D, GLY92F, GLY99F, HIS101F, ILE124D, ILE124F, ILE23D, ILE24D, ILE35D, ILE84F, LEU113D, LEU127F, LEU4D, LEU80D, LEU80F, LEU81D, LEU81F, LYS102F, LYS115D, LYS3D, LYS73F, LYS76D, LYS76F, LYS85F, MET28D, MET28F, MET71F, PHE108D, PHE108F, PHE87F, PHE98F, PRO103F, PRO114D, SER20D, SER32D, SER69F, SER70F, THR126F, THR5D, THR77F, THR78D, THR78F, TYR19D, TYR30D, TYR30F, TYR94F, VAL121D, VAL16D, VAL29D, VAL29F, VAL63D, VAL6D, VAL74F, VAL75F, VAL7D
• E-F: ALA104E, ALA106E, ALA109E, ALA109F, ALA110E, ALA110F, ALA111E, ALA111F, ALA112E, ALA112F, ALA117F, ALA125E, ALA15F, ALA18F, ALA22F, ALA82E, ALA82F, ALA95E, ALA97E, ARG105E, ASN100E, ASN26E, ASN26F, ASN91E, ASP72E, ASP83E, CYS107E, CYS123F, CYS25F, CYS31F, CYS79E, GLN21F, GLN34F, GLU120F, GLU122E, GLU122F, GLU14F, GLU96E, GLY116F, GLY17F, GLY27E, GLY33F, GLY92E, GLY99E, HIS101E, ILE124E, ILE124F, ILE23F, ILE24F, ILE35F, ILE84E, LEU113F, LEU127E, LEU4F, LEU80E, LEU80F, LEU81E, LEU81F, LYS102E, LYS115F, LYS3F, LYS73E, LYS76E, LYS85E, MET28E, MET28F, MET71E, PHE108E, PHE108F, PHE87E, PHE98E, PRO103E, PRO114F, SER20F, SER2F, SER32F, SER69E, SER70E, THR126E, THR5F, THR77E, THR78E, THR78F, TYR19F, TYR30E, TYR30F, TYR94E, VAL121F, VAL16F, VAL29F, VAL63F, VAL6F, VAL74E, VAL75E, VAL7F