3BFE

crystal structure of the class a beta-lactamase sed-1 from citrobacter sedlakii

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 78
  • Norm. En. per Res.: -2.2591
• Hub Node: A(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	-43.4471	-35.0986	-97.6643	-176.21	78	6	2	4541	4	24	26
A-C	0.0	-4.4554	-42.3033	-46.7587	52	1	0	2208	1	16	13
B-C	0.0	0.0	-3.4722	-3.4722	25	0	0	472	0	7	6
C-D	-38.9105	-35.9019	-91.6581	-166.4705	77	5	2	4432	4	25	27

Interface residues

• A-B: ALA198A, ALA198B, ALA200A, ALA200B, ALA205A, ALA205B, ALA257A, ALA257B, ALA52A, ALA52B, ARG191A, ARG191B, ARG204A, ARG204B, ARG222A, ARG222B, ARG256A, ARG256B, ASN214A, ASN214B, ASN54A, ASN54B, ASP197A, ASP197B, ASP209A, ASP209B, ASP255A, ASP255B, GLN203A, GLN203B, GLN206A, GLN206B, GLU254A, GLU254B, GLU85A, GLU85B, GLY196A, GLY196B, GLY201A, GLY201B, GLY213A, GLY213B, GLY232A, GLY232B, HIS228A, HIS228B, LEU193A, LEU193B, LEU195A, LEU195B, LEU199A, LEU199B, LEU211A, LEU211B, LYS192A, LYS192B, LYS212A, LYS212B, PRO202A, PRO202B, PRO252A, PRO252B, PRO258A, PRO258B, THR194A, THR194B, THR51A, THR51B, TRP229A, TRP229B, TRP251A, TRP251B, VAL208A, VAL208B, VAL230A, VAL230B, VAL231A, VAL231B
• A-C: ALA100C, ALA124A, ALA272C, ASN104C, ASN106C, ASN115A, ASN132C, ASN136C, ASN214A, ASP101C, ASP209A, ASP240C, ASP271C, GLN128A, GLN206A, GLN270C, GLN92A, GLU110A, GLU110C, GLU121A, GLU166C, GLU168C, GLY114A, GLY213A, GLY238C, ILE97A, LEU102C, LEU127A, LEU211A, LYS111A, LYS165C, LYS212A, LYS273C, LYS94A, LYS98A, LYS99A, LYS99C, MET117A, PRO167C, THR103C, THR109A, THR116A, THR118A, THR215A, THR96A, TRP105C, TRP210A, TRP274C, TYR112A, TYR129A, VAL108A, VAL113A
• B-C: ALA52B, ARG256B, ASN115C, ASN50B, ASP53B, GLN27B, GLN28B, GLU110C, GLU121C, GLU288B, GLY114C, GLY289B, LYS111C, LYS290B, LYS94C, LYS98C, LYS99C, SER55B, THR116C, THR118C, THR96C, TYR112C, VAL113C, VAL26B, VAL29B
• C-D: ALA198C, ALA198D, ALA200C, ALA200D, ALA205C, ALA205D, ALA257C, ALA257D, ALA52C, ALA52D, ARG191C, ARG191D, ARG204C, ARG204D, ARG222C, ARG222D, ARG256C, ARG256D, ASN214C, ASN214D, ASN54C, ASN54D, ASP197C, ASP197D, ASP209C, ASP209D, ASP255C, ASP255D, ASP53D, GLN203C, GLN203D, GLN206C, GLN206D, GLU254C, GLU254D, GLY196C, GLY196D, GLY201C, GLY201D, GLY213C, GLY213D, GLY232C, GLY232D, HIS228C, HIS228D, LEU193C, LEU193D, LEU195C, LEU195D, LEU199C, LEU199D, LEU211C, LEU211D, LYS192C, LYS192D, LYS212C, LYS212D, PRO202C, PRO202D, PRO252C, PRO252D, PRO258C, PRO258D, THR194C, THR194D, THR51C, THR51D, TRP229C, TRP229D, TRP251C, TRP251D, VAL208C, VAL208D, VAL230C, VAL230D, VAL231C, VAL231D