3NGJ

crystal structure of a putative deoxyribose-phosphate aldolase from entamoeba histolytica

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 124
  • Norm. En. per Res.: -2.9757
• 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	-22.8088	-16.9077	-47.4305	-87.1469	37	3	0	1807	3	11	14
A-C	0.0	7.4872	-32.6795	-25.1923	31	2	0	1134	0	10	8
A-D	-37.584	-12.0301	-319.372	-368.9861	124	5	13	13397	1	32	24
B-C	-26.8274	-8.765	-315.706	-351.2984	125	5	13	13255	0	32	29
C-D	-14.2243	-15.9991	-50.0442	-80.2675	41	3	0	1812	3	11	14

Interface residues

• A-B: ALA209B, ALA212B, ARG189B, ASN135A, ASN199A, ASN200A, ASP192A, ASP193A, ASP193B, CYS131B, GLN23B, GLU167A, GLU167B, GLY158B, GLY160B, GLY163B, GLY187B, GLY201A, HIS162B, HIS218A, ILE198A, LYS138B, LYS16B, LYS170A, LYS196A, MET195A, MET197A, PHE159B, PHE191A, PRO166A, SER208B, THR161B, THR165A, THR165B, THR190A, THR190B, TYR132B
• A-C: ALA164A, ALA164C, ARG189A, ARG189C, ASP168A, ASP168C, CYS131A, CYS131C, GLU167A, GLU167C, GLY160A, GLY160C, GLY163A, GLY163C, GLY187A, GLY187C, HIS162A, HIS162C, LYS138A, LYS138C, LYS16C, PRO166A, PRO166C, THR134A, THR134C, THR161A, THR161C, THR165A, THR165C, TYR132A, TYR132C
• A-D: ALA102A, ALA102D, ALA17A, ALA17D, ALA19A, ALA19D, ALA70A, ALA70D, ALA77A, ALA77D, ALA83A, ALA83D, ARG25A, ARG25D, ASN42A, ASN42D, ASN96A, ASN96D, ASP111A, ASP18A, ASP18D, CYS131A, CYS131D, GLN23A, GLN23D, GLN86A, GLN86D, GLU129A, GLU129D, GLU21A, GLU21D, GLU22A, GLU22D, GLU74A, GLU74D, GLU79A, GLU79D, GLU85A, GLU85D, GLY160A, GLY160D, GLY65A, GLY65D, GLY69A, GLY69D, GLY98A, GLY98D, ILE24A, ILE24D, ILE64A, ILE64D, ILE95A, ILE95D, ILE97A, ILE97D, LEU133A, LEU133D, LEU14D, LEU15A, LEU15D, LEU48A, LEU48D, LEU68A, LEU68D, LYS101A, LYS101D, LYS104A, LYS104D, LYS16A, LYS16D, LYS76A, LYS76D, LYS81A, LYS81D, MET99A, MET99D, PHE159A, PHE159D, PHE66A, PHE66D, PRO43A, PRO43D, PRO47A, PRO47D, PRO67A, PRO67D, PRO72A, PRO72D, SER73A, SER73D, THR157A, THR157D, THR161A, THR161D, THR20A, THR20D, THR44A, THR44D, THR62A, THR62D, THR71A, THR71D, THR80A, THR80D, TRP45A, TRP45D, TYR132A, TYR132D, TYR78A, TYR78D, VAL100A, VAL100D, VAL41A, VAL41D, VAL46A, VAL46D, VAL63A, VAL63D, VAL75A, VAL75D, VAL82A, VAL82D, VAL94A, VAL94D
• B-C: ALA102B, ALA102C, ALA17B, ALA17C, ALA19B, ALA19C, ALA70B, ALA70C, ALA77B, ALA77C, ALA83B, ALA83C, ARG25B, ARG25C, ASN42B, ASN42C, ASN96B, ASN96C, ASP111B, ASP18B, ASP18C, CYS131B, CYS131C, GLN23B, GLN23C, GLN86B, GLN86C, GLU129B, GLU129C, GLU21B, GLU21C, GLU22B, GLU22C, GLU74B, GLU74C, GLU79B, GLU79C, GLU85B, GLU85C, GLY160B, GLY160C, GLY65B, GLY65C, GLY69B, GLY69C, GLY98B, GLY98C, ILE24B, ILE24C, ILE64B, ILE64C, ILE95B, ILE95C, ILE97B, ILE97C, LEU133B, LEU133C, LEU14B, LEU14C, LEU15B, LEU15C, LEU48B, LEU48C, LEU68B, LEU68C, LYS101B, LYS101C, LYS104B, LYS104C, LYS16B, LYS16C, LYS76B, LYS76C, LYS81B, LYS81C, MET99B, MET99C, PHE159B, PHE159C, PHE66B, PHE66C, PRO43B, PRO43C, PRO47B, PRO47C, PRO67B, PRO67C, PRO72B, PRO72C, SER73B, SER73C, THR157B, THR157C, THR161B, THR161C, THR20B, THR20C, THR44B, THR44C, THR62B, THR62C, THR71B, THR71C, THR80B, THR80C, TRP45B, TRP45C, TYR132B, TYR132C, TYR78B, TYR78C, VAL100B, VAL100C, VAL41B, VAL41C, VAL46B, VAL46C, VAL63B, VAL63C, VAL75B, VAL75C, VAL82B, VAL82C, VAL94B, VAL94C
• C-D: ALA209D, ALA212D, ARG189D, ASN135C, ASN199C, ASN200C, ASP168C, ASP192C, ASP193C, ASP193D, CYS131D, GLN23D, GLU167C, GLU167D, GLY158D, GLY160D, GLY163D, GLY187D, GLY201C, HIS162D, HIS218C, ILE198C, LYS138D, LYS16D, LYS170C, LYS196C, MET195C, MET197C, PHE159D, PHE191C, PRO-2C, PRO166C, PRO166D, SER0C, SER208D, THR161D, THR165C, THR165D, THR190C, THR190D, TYR132D