3BMA

crystal structure of d-alanyl-lipoteichoic acid synthetase from streptococcus pneumoniae r6

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 34
  • Norm. En. per Res.: -5.3783
• Hub Node: A(4)

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	-21.611	-29.2236	-298.597	-349.4317	111	15	6	11510	4	12	16
A-C	-15.6311	22.5642	-94.7953	-87.8622	97	2	0	4764	2	28	27
A-D	-16.0314	35.3231	-42.405	-23.1133	47	3	0	1951	0	22	20
A-E	-31.9084	-81.8575	-69.0963	-182.8622	34	3	0	2240	6	20	16
B-D	0.0	-8.2516	-29.6084	-37.86	62	1	0	2060	0	20	27
B-E	0.0	14.6571	-45.5103	-30.8532	31	1	1	2064	0	10	17
C-E	0.0	0.0	-0.4582	-0.4582	9	0	0	94	0	1	2
D-E	-4.6598	-10.7758	-40.6128	-56.0485	35	0	0	2214	0	23	26
D-F	-11.4416	0.0	-244.478	-255.9196	96	9	7	9093	0	10	11
E-F	0.0	-9.9834	-24.9407	-34.9241	17	0	0	1081	1	15	13

Interface residues

• A-B: ALA147A, ALA147B, ALA148A, ALA148B, ALA186A, ALA186B, ALA212A, ALA212B, ALA219A, ALA219B, ARG213A, ARG213B, ARG217A, ARG217B, ARG228A, ARG228B, ASN154A, ASN154B, ASN184A, ASN184B, ASN215A, ASN215B, ASP156A, ASP156B, ASP52A, ASP52B, GLN106A, GLN106B, GLN150A, GLN150B, GLN151A, GLN151B, GLN157A, GLN157B, GLN181A, GLN181B, GLN218A, GLN218B, GLN224A, GLN224B, GLN59B, GLU206A, GLU206B, GLU216A, GLU216B, GLU56A, GLU56B, GLY155A, GLY155B, GLY223A, GLY223B, GLY229A, GLY229B, HIS36A, ILE51A, ILE51B, LEU158A, LEU158B, LEU162A, LEU162B, LEU178A, LEU178B, LEU210A, LEU210B, LEU211A, LEU211B, LYS188B, LYS55A, LYS55B, MET187A, MET187B, MET207A, MET207B, PHE149A, PHE149B, PHE153A, PHE153B, PHE182A, PHE182B, PHE214A, PHE214B, PHE221A, PHE221B, PHE222A, PHE222B, PHE225A, PHE225B, PHE54A, PHE54B, PRO146A, PRO146B, PRO183A, PRO183B, SER160B, SER220A, SER226A, SER226B, SER53A, SER53B, THR159A, THR159B, THR50A, THR50B, TYR152A, TYR152B, VAL185A, VAL185B, VAL191A, VAL191B, VAL227A, VAL227B
• A-C: ALA252A, ALA252C, ALA362A, ALA362C, ALA387A, ALA387C, ALA391A, ALA391C, ARG350A, ARG350C, ASN360A, ASN360C, ASN398A, ASN398C, ASP246C, ASP255A, ASP255C, ASP340A, ASP363A, ASP363C, ASP367A, ASP367C, ASP389A, ASP393A, ASP393C, GLN247A, GLN247C, GLN251A, GLN251C, GLN343A, GLN347A, GLU254A, GLU254C, GLU262C, GLU339A, GLU354A, GLU354C, GLU370A, GLU370C, GLY357A, GLY368A, GLY369C, GLY384A, HIS406A, ILE253A, ILE253C, ILE321A, ILE324C, ILE361A, ILE361C, LEU383A, LEU383C, LEU386A, LEU386C, LYS258C, LYS329A, LYS329C, LYS366A, LYS366C, LYS390A, LYS390C, PHE248A, PHE248C, PHE358A, PHE364A, PHE364C, PHE372C, PHE373A, PHE373C, PHE388A, PHE395C, PRO371A, PRO371C, PRO394A, PRO394C, PRO399A, PRO399C, PRO401A, PRO401C, PRO403A, SER249A, SER249C, SER355A, SER365A, SER397A, SER397C, SER98A, THR359A, THR359C, THR400A, THR400C, THR404A, TYR250A, TYR250C, TYR95C, VAL346C, VAL392A
• A-D: ALA238A, ALA41A, ARG217A, ARG338D, ARG44A, ASN38A, ASN68A, ASN96A, ASP234A, ASP340D, ASP415D, ASP420D, ASP422D, ASP66A, GLN224A, GLN292D, GLN344D, GLU425D, GLU42A, GLY336D, GLY40A, GLY421D, HIS36A, HIS37A, LEU298D, LEU39A, LYS141D, LYS293D, LYS299D, LYS424D, LYS43A, MET341D, MET35A, PHE221A, PHE225A, PHE295D, PRO67A, SER294D, THR296D, THR418D, TYR230A, TYR233A, TYR419D, VAL227A, VAL231A, VAL423D, VAL69A
• A-E: ALA203A, ALA203E, ALA212A, ALA212E, ARG213A, ARG213E, ARG217A, ARG217E, ASN205A, ASN205E, GLU206A, GLU206E, GLU209A, GLU209E, ILE208A, ILE208E, LEU210A, LEU210E, LEU211A, LEU211E, LYS163A, LYS163E, LYS317A, LYS317E, MET207A, MET207E, MET35E, PHE214A, PHE214E, PRO67A, PRO67E, SER166A, THR202A, THR202E
• B-D: ALA147B, ALA335D, ALA387D, ARG177B, ARG338D, ASN142B, ASN184B, ASP145B, ASP290D, ASP333D, ASP340D, ASP363D, ASP367D, ASP422D, GLN150B, GLN151B, GLN180B, GLN181B, GLN192B, GLN280B, GLN343D, GLN347D, GLU339D, GLU354D, GLU370D, GLY143B, GLY336D, GLY357D, GLY368D, GLY369D, LEU179B, LEU337D, LYS141B, LYS188B, LYS283B, LYS287B, LYS289D, LYS293D, LYS299B, LYS329D, LYS330D, LYS366D, LYS390D, LYS414B, LYS424D, MET332D, PHE182B, PHE364D, PHE373D, PHE426D, PRO146B, PRO183B, PRO301B, PRO371D, SER140B, SER355D, SER365D, THR176B, THR359D, THR418B, TYR144B, TYR334D
• B-E: ALA186B, ALA203B, ALA203E, ASN184B, ASN205B, ASN205E, ASP189B, ASP204B, ASP204E, GLN192B, GLU199E, GLU206B, GLU206E, ILE208B, LEU162B, LEU190B, LEU200E, LEU210B, LEU211B, LYS188B, LYS193B, LYS193E, MET187B, MET207B, MET207E, SER201B, SER201E, THR202B, THR202E, VAL185B, VAL191B
• C-E: ARG410C, ASN398E, ASN408C, GLN427C, HIS406C, PRO394E, SER397E, SER98E, THR400E
• D-E: ALA195E, ARG410E, ASN142D, ASP168E, ASP284D, ASP290D, ASP415E, GLN169E, GLN172E, GLU198E, GLU199E, GLU409E, GLY167E, HIS406E, LEU194E, LEU200E, LEU285D, LEU288D, LYS141D, LYS193E, LYS197E, LYS286D, LYS287D, LYS289D, LYS293D, LYS414E, PHE412E, SER166E, SER196E, SER291D, SER413E, THR176E, THR404E, TYR173E, TYR334D
• D-F: ALA147D, ALA147F, ALA148F, ALA186D, ALA186F, ALA212D, ALA212F, ALA219D, ALA219F, ARG213D, ARG213F, ARG217D, ARG217F, ASN154D, ASN154F, ASN184D, ASN184F, ASN215D, ASN215F, ASP156D, ASP156F, ASP52D, ASP52F, GLN150D, GLN150F, GLN151D, GLN151F, GLN157D, GLN157F, GLN181D, GLN181F, GLN218D, GLN218F, GLN224D, GLN224F, GLU206F, GLU216D, GLU216F, GLU56F, GLY155D, GLY155F, GLY223D, HIS36D, HIS36F, ILE208F, LEU158D, LEU158F, LEU162D, LEU162F, LEU178D, LEU178F, LEU179F, LEU190D, LEU190F, LEU210D, LEU210F, LEU211D, LEU211F, LYS188D, LYS188F, LYS55D, LYS55F, MET187D, MET187F, MET207D, MET207F, MET35D, PHE149D, PHE149F, PHE153D, PHE153F, PHE182D, PHE182F, PHE214D, PHE214F, PHE221D, PHE221F, PHE222D, PHE222F, PHE225D, PHE225F, PRO146D, PRO146F, PRO183D, PRO183F, SER160F, SER220D, SER220F, SER226F, THR159D, THR159F, TYR152D, TYR152F, VAL185D, VAL185F, VAL191F
• E-F: ALA238F, ARG44F, ASP234F, ASP420E, ASP422E, GLU425E, GLY229F, GLY421E, LYS235F, LYS242F, LYS299E, LYS424E, TYR230F, TYR233F, TYR419E, VAL231F, VAL423E