3BFD

crystal structure of the class a beta-lactamase sed-g238c mutant from citrobacter sedlakii

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 80
  • Norm. En. per Res.: -2.4377
• 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	-53.1138	-38.3686	-103.53	-195.0124	80	4	3	4835	4	24	27
A-D	-10.0719	-5.0095	-15.7815	-30.8629	33	1	0	1018	0	11	7
B-D	-3.7883	-4.4046	-39.0625	-47.2554	49	0	0	2096	1	16	13
C-D	-49.9868	-39.7054	-102.393	-192.0852	79	6	3	4771	4	25	27

Interface residues

• A-B: ALA198A, ALA198B, ALA200A, ALA200B, ALA205A, ALA205B, ALA227B, ALA257A, ALA257B, ALA52A, ALA52B, ARG191A, ARG191B, ARG204A, ARG204B, ARG222A, ARG222B, ARG256A, ARG256B, ASN214A, ASN214B, ASN54A, ASN54B, ASP197A, ASP197B, ASP209A, ASP209B, ASP255A, ASP255B, ASP53A, 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-D: ALA257A, ALA52A, ARG256A, ASN115D, ASN50A, ASP25A, ASP25A5, ASP53A, CB7.15043-16.92509, GLN27A, GLN28A, GLN92D, GLU110D, GLU121D, GLU254A, GLU288A, GLY114D, GLY289A, LYS111D, LYS290A, LYS32A, LYS94D, LYS98D, LYS99D, MET117D, SER55A, THR116D, THR118D, THR96D, TYR112D, VAL113D, VAL26A, VAL29A
• B-D: ALA100D, ALA124B, ALA237D, ALA272D, ASN104D, ASN106D, ASN115B, ASN132D, ASN214B, ASP209B, ASP240D, ASP271D, GLN128B, GLN206B, GLN270D, GLN92B, GLU110B, GLU110D, GLU121B, GLU166D, GLU168D, GLY114B, GLY213B, ILE97B, LEU102D, LEU211B, LYS111B, LYS165D, LYS212B, LYS273D, LYS94B, LYS98B, LYS99B, LYS99D, MET117B, PRO167D, THR103D, THR116B, THR118B, THR215B, THR96B, TRP105D, TRP210B, TRP274D, TYR112B, TYR129B, TYR241D, VAL108B, VAL113B
• 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, ASP53C, GLN203C, GLN203D, GLN206C, GLN206D, GLU254C, GLU254D, GLU85C, GLU85D, 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