3I12

the crystal structure of the d-alanyl-alanine synthetase a from salmonella enterica subsp. enterica serovar typhimurium str. lt2

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 231
  • Norm. En. per Res.: -3.7784
• Hub Node: B(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	-100.5205	-176.5019	-554.712	-831.7343	229	29	26	23857	12	49	58
B-C	-11.806	-12.0147	-146.574	-170.3948	76	10	0	5844	0	17	14
B-D	0.0	0.0	-17.3271	-17.3271	18	2	0	607	0	1	3
C-D	-124.1496	-168.7322	-579.935	-872.8168	231	28	27	23259	10	46	55

Interface residues

• A-B: ALA123A, ALA123B, ALA136A, ALA136B, ALA137A, ALA137B, ALA144A, ALA144B, ALA151A, ALA151B, ALA15A, ALA15B, ALA187A, ALA187B, ALA209A, ALA209B, ALA211A, ALA211B, ALA289B, ALA356A, ALA356B, ALA359A, ALA359B, ALA46A, ALA46B, ALA77A, ALA77B, ALA90A, ALA90B, ARG121A, ARG121B, ARG146A, ARG146B, ARG149A, ARG149B, ARG163A, ARG163B, ARG353A, ARG353B, ASN124A, ASN124B, ASN165A, ASN188A, ASN188B, ASN236A, ASN236B, ASN238A, ASN238B, ASN357A, ASN357B, ASN358A, ASN358B, ASN89A, ASN89B, ASN92A, ASN92B, ASP113A, ASP113B, ASP131A, ASP131B, ASP140A, ASP140B, ASP142A, ASP142B, ASP150A, ASP150B, ASP215A, ASP215B, ASP237A, ASP237B, ASP44A, ASP44B, CYS138A, CYS138B, GLN117A, GLN117B, GLN189A, GLN189B, GLN288A, GLN288B, GLN291A, GLN291B, GLN48A, GLN48B, GLN78A, GLN78B, GLN84A, GLN84B, GLN86A, GLN86B, GLN91A, GLN91B, GLN94A, GLN94B, GLU112A, GLU112B, GLU16B, GLU18B, GLU213A, GLU213B, GLU352A, GLY111A, GLY111B, GLY114A, GLY114B, GLY118A, GLY118B, GLY12B, GLY152A, GLY152B, GLY190B, GLY194B, GLY294A, GLY294B, GLY47A, GLY47B, GLY81A, GLY81B, GLY93A, GLY93B, HIS17B, HIS216A, HIS216B, HIS354A, HIS354B, HIS50B, HIS83A, HIS83B, HIS85A, HIS85B, ILE155B, ILE43A, ILE43B, ILE88A, ILE88B, LEU110A, LEU110B, LEU116A, LEU116B, LEU120A, LEU120B, LEU133A, LEU133B, LEU147A, LEU147B, LEU148A, LEU148B, LEU153A, LEU153B, LEU210A, LEU210B, LEU293A, LEU293B, LEU360A, LEU360B, LEU76A, LEU76B, LEU87A, LEU87B, LYS13A, LYS13B, LYS141A, LYS141B, LYS145A, LYS145B, LYS217A, LYS217B, LYS259A, LYS361A, LYS361B, LYS45A, LYS45B, LYS82A, LYS82B, MET119A, MET119B, MET139A, MET139B, PHE158A, PHE158B, PHE212A, PHE212B, PHE214A, PHE214B, PRO186A, PRO186B, PRO239A, PRO239B, PRO80A, PRO80B, PRO95A, PRO95B, SER115A, SER115B, SER134A, SER134B, SER135A, SER135B, SER14A, SER14B, SER75A, SER75B, THR109A, THR109B, THR162A, THR162B, THR164A, THR164B, THR292A, THR292B, THR355A, THR355B, THR362A, THR362B, THR363A, THR363B, TRP49A, TRP49B, TYR256A, VAL122A, VAL122B, VAL132A, VAL132B, VAL143A, VAL143B, VAL193A, VAL193B, VAL79A, VAL79B
• B-C: ALA241B, ALA272B, ALA334B, ALA46C, ALA65C, ALA68C, ALA73C, ALA90C, ARG227B, ARG283B, ARG345B, ARG35B, ARG70C, ASN238B, ASN279B, ASN52C, ASN56C, ASN60C, ASN89C, ASN92C, ASP280B, ASP341B, ASP44C, ASP63C, CYS244B, GLN240B, GLN273B, GLN333B, GLN48C, GLN59C, GLN91C, GLN94C, GLU18C, GLU277B, GLU348B, GLU352B, GLY245B, GLY336B, GLY338B, GLY42C, GLY47C, GLY93C, HIS17C, HIS50C, HIS66C, ILE229B, ILE274B, ILE282B, ILE43C, ILE74C, LEU234B, LEU331B, LEU337B, LEU342B, LEU69C, LEU96C, LYS330B, LYS45C, PRO271B, PRO275B, PRO71C, SER242B, SER276B, SER335B, SER72C, SER75C, THR243B, THR340B, THR34B, TRP332B, TRP49C, TYR339B, TYR57C, VAL269B, VAL270B, VAL278B
• B-D: ALA334B, ASN89D, ASN92D, GLN267B, GLN273B, GLN91D, GLN94D, GLY93D, HIS85D, ILE274B, ILE88D, LYS82D, PRO271B, PRO95D, VAL268B, VAL269B, VAL270B, VAL79D
• C-D: ALA123C, ALA123D, ALA136C, ALA136D, ALA137C, ALA137D, ALA144C, ALA144D, ALA151C, ALA151D, ALA15C, ALA15D, ALA187C, ALA209C, ALA209D, ALA211C, ALA211D, ALA289C, ALA289D, ALA356C, ALA356D, ALA359C, ALA359D, ALA46C, ALA46D, ALA77C, ALA77D, ALA90C, ALA90D, ARG121C, ARG121D, ARG146C, ARG146D, ARG149C, ARG149D, ARG163C, ARG163D, ARG353C, ARG353D, ASN124C, ASN124D, ASN165C, ASN165D, ASN188C, ASN188D, ASN236C, ASN236D, ASN238C, ASN238D, ASN357C, ASN357D, ASN358C, ASN358D, ASN89C, ASN89D, ASN92C, ASN92D, ASP113C, ASP113D, ASP131C, ASP131D, ASP140C, ASP140D, ASP142C, ASP142D, ASP150C, ASP150D, ASP215C, ASP215D, ASP237C, ASP237D, ASP44C, ASP44D, CYS138C, CYS138D, GLN117C, GLN117D, GLN189C, GLN189D, GLN288C, GLN288D, GLN291C, GLN291D, GLN48C, GLN48D, GLN78C, GLN78D, GLN84C, GLN86C, GLN86D, GLN91C, GLN91D, GLN94C, GLN94D, GLU112C, GLU112D, GLU16C, GLU213C, GLU213D, GLU352C, GLU352D, GLY111C, GLY111D, GLY114C, GLY114D, GLY118C, GLY118D, GLY152C, GLY152D, GLY190D, GLY194C, GLY194D, GLY294C, GLY294D, GLY47C, GLY47D, GLY81C, GLY81D, GLY93C, GLY93D, HIS216C, HIS216D, HIS354C, HIS354D, HIS50C, HIS50D, HIS83C, HIS83D, HIS85C, HIS85D, ILE155D, ILE43C, ILE43D, ILE88C, ILE88D, LEU110C, LEU110D, LEU116C, LEU116D, LEU120C, LEU120D, LEU133C, LEU133D, LEU147C, LEU147D, LEU148C, LEU148D, LEU153D, LEU210C, LEU210D, LEU293C, LEU293D, LEU360C, LEU360D, LEU76C, LEU76D, LEU87C, LEU87D, LYS13C, LYS13D, LYS141C, LYS141D, LYS145C, LYS145D, LYS217C, LYS217D, LYS361C, LYS361D, LYS82C, LYS82D, MET119C, MET119D, MET139C, MET139D, MET364C, PHE127C, PHE127D, PHE158C, PHE158D, PHE212C, PHE212D, PHE214C, PHE214D, PRO186C, PRO186D, PRO239C, PRO239D, PRO80C, PRO80D, PRO95C, PRO95D, SER115C, SER115D, SER134C, SER134D, SER135C, SER135D, SER14C, SER14D, SER191D, SER192D, SER196D, SER75C, SER75D, THR109C, THR109D, THR162C, THR162D, THR164C, THR164D, THR292C, THR292D, THR355C, THR355D, THR362C, THR362D, THR363C, THR363D, TRP49C, TRP49D, VAL122C, VAL122D, VAL132C, VAL132D, VAL143C, VAL143D, VAL193C, VAL193D, VAL195D, VAL79C, VAL79D