2Z2M

cefditoren-acylated penicillin-binding protein 2x (pbp2x) from streptococcus pneumoniae

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 139
  • Norm. En. per Res.: -5.2212
• Hub Node: C(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	-189.8932	-38.1663	-497.682	-725.7415	139	28	14	19215	1	20	27
A-C	0.0	0.0	-20.945	-20.945	24	0	0	1110	0	2	0
B-C	-131.917	-112.0054	-367.5	-611.4224	127	24	11	14486	9	33	33
B-E	0.0	0.0	-0.0159	-0.0159	2	0	0	6	0	2	1
B-F	0.0	0.0	-0.3155	-0.3155	5	0	0	37	0	0	0
C-D	0.0	-3.1387	-2.2668	-5.4055	13	0	0	273	0	6	7
C-E	-9.1178	0.0	-22.9656	-32.0834	36	0	0	1093	0	4	2
C-F	-12.8135	2.0651	-25.6754	-36.4238	28	1	0	1321	0	1	3
D-E	-161.982	-34.4687	-495.846	-692.2967	144	26	12	19477	3	23	25
D-F	0.0	0.0	-23.7393	-23.7393	24	1	1	1120	0	2	0
E-F	-148.9257	-102.2879	-371.787	-623.0006	127	28	11	14918	7	33	34

Interface residues

• A-B: ALA194A, ALA201A, ALA228A, ALA279B, ALA303B, ALA312B, ALA482B, ALA74A, ALA88A, ARG186A, ARG254B, ARG307B, ARG325B, ARG492B, ARG76A, ARG82A, ASN185A, ASN190A, ASN224A, ASN487B, ASN619B, ASN83A, ASP231A, ASP257B, ASP260B, ASP278B, ASP311B, ASP313B, ASP326B, ASP431B, ASP485B, ASP81A, ASP90A, GLN192A, GLN202A, GLN270B, GLN276B, GLN281B, GLN306B, GLN330B, GLU220A, GLU274B, GLU300B, GLU316B, GLU432B, GLU89A, GLY191A, GLY199A, GLY218A, GLY229A, GLY232A, GLY258B, GLY317B, GLY428B, GLY77A, GLY84A, ILE198A, ILE226A, ILE265B, ILE301B, ILE318B, ILE327B, ILE480B, ILE483B, ILE79A, ILE87A, LEU200A, LEU223A, LEU227A, LEU269B, LEU302B, LEU328B, LEU429B, LEU618B, LEU620B, LYS259B, LYS315B, LYS478B, LYS615B, LYS75A, MET219A, MET256B, MET273B, MET277B, MET614B, PHE193A, PHE197A, PHE272B, PHE310B, PHE322B, PHE427B, PHE479B, PHE583B, PRO189A, PRO268B, PRO308B, PRO477B, PRO486B, PRO86A, SER187A, SER195A, SER196A, SER217A, SER221A, SER222A, SER225A, SER266B, SER267B, SER271B, SER295B, SER481B, SER494B, SER617B, THR159A, THR216A, THR230A, THR255B, THR263B, THR264B, THR275B, THR290B, THR292B, THR298B, THR304B, THR305B, THR309B, THR314B, THR430B, THR459B, THR78A, TRP324B, TYR188A, TYR262B, TYR329B, TYR484B, TYR80A, VAL261B, VAL323B, VAL85A
• A-C: ALA626C, ARG654C, ARG655C, ARG82A, ASN224A, ASN656C, ASN83A, ASP81A, GLU628C, GLU651C, GLU652C, GLY84A, ILE226A, LEU223A, LEU627C, LEU653C, LEU657C, MET219A, SER221A, SER222A, SER225A, TYR636C, TYR80A, VAL85A
• B-C: ALA346B, ALA482B, ALA491B, ALA626C, ALA650C, ALA681C, ALA734C, ARG418B, ARG426B, ARG463B, ARG492B, ARG654C, ARG655C, ARG733C, ASN350B, ASN417B, ASN470B, ASN487B, ASN501B, ASN619B, ASN656C, ASN679C, ASN683C, ASN735C, ASP260B, ASP349B, ASP414B, ASP431B, ASP471B, ASP485B, ASP488B, ASP648C, ASP698C, ASP750C, GLN489B, GLN495B, GLN629C, GLN632C, GLN633C, GLN659C, GLN684C, GLN685C, GLN728C, GLN730C, GLU432B, GLU476B, GLU497B, GLU628C, GLU651C, GLU652C, GLU695C, GLY428B, GLY472B, GLY500B, GLY647C, GLY664C, GLY701C, ILE480B, ILE483B, ILE498B, ILE644C, ILE661C, LEU413B, LEU416B, LEU429B, LEU475B, LEU627C, LEU649C, LEU653C, LEU657C, LEU680C, LYS259B, LYS420B, LYS478B, LYS493B, LYS496B, LYS505B, LYS729C, MET407B, MET474B, MET699C, PHE419B, PHE427B, PHE479B, PRO424B, PRO477B, PRO486B, PRO502B, PRO635C, PRO637C, PRO646C, PRO660C, PRO682C, PRO697C, SER481B, SER494B, SER631C, SER634C, SER645C, THR263B, THR264B, THR411B, THR425B, THR430B, THR490B, THR665C, THR726C, THR736C, TRP702C, TYR262B, TYR415B, TYR484B, TYR636C, TYR700C, VAL261B, VAL423B, VAL473B, VAL499B, VAL503B, VAL630C, VAL658C, VAL662C, VAL663C, VAL686C, VAL696C, VAL727C, VAL732C
• B-E: ARG492B, GLN489E
• B-F: GLN495B, GLN629F, GLN632F, LYS493B, SER631F
• C-D: ALA161D, ARG82D, ASN83D, GLU675C, GLU676C, GLU708C, GLY677C, GLY84D, LYS168D, LYS678C, LYS704C, MET164D, SER165D
• C-E: ALA674C, ALA681C, ARG254E, ASN487E, ASN619E, ASN679C, ASP488E, ASP616E, GLN489E, GLN632C, GLN633C, GLN684C, GLN721C, GLU705C, GLY722C, GLY724C, LEU618E, LEU620E, LEU680C, LEU748C, LYS493E, LYS615E, LYS678C, LYS704C, PHE720C, PRO486E, PRO635C, PRO682C, SER617E, SER631C, SER723C, SER725C, THR490E, TYR262E, TYR484E, TYR636C
• C-F: ALA626F, ALA681C, ASN683C, ASP750C, GLN629F, GLN632C, GLN632F, GLN633C, GLN633F, GLN684C, GLN685C, GLU628F, GLU705C, GLY724C, LEU627F, LEU748C, LYS704C, PRO635F, PRO682C, SER631C, SER631F, SER723C, SER725C, THR703C, THR706C, THR726C, VAL630C, VAL630F
• D-E: ALA194D, ALA201D, ALA228D, ALA279E, ALA303E, ALA312E, ALA482E, ALA74D, ALA88D, ARG186D, ARG254E, ARG307E, ARG325E, ARG492E, ARG76D, ARG82D, ASN185D, ASN190D, ASN224D, ASN487E, ASN619E, ASN83D, ASP231D, ASP257E, ASP260E, ASP278E, ASP311E, ASP313E, ASP326E, ASP431E, ASP485E, ASP616E, ASP81D, ASP90D, GLN192D, GLN202D, GLN270E, GLN281E, GLN306E, GLN330E, GLU220D, GLU274E, GLU300E, GLU316E, GLU432E, GLU89D, GLY191D, GLY199D, GLY218D, GLY229D, GLY232D, GLY258E, GLY299E, GLY317E, GLY428E, GLY77D, GLY84D, ILE198D, ILE226D, ILE265E, ILE301E, ILE318E, ILE327E, ILE480E, ILE483E, ILE79D, ILE87D, LEU200D, LEU203D, LEU213D, LEU223D, LEU227D, LEU269E, LEU302E, LEU328E, LEU429E, LEU618E, LEU620E, LYS167D, LYS259E, LYS315E, LYS478E, LYS75D, MET163D, MET164D, MET219D, MET256E, MET273E, MET277E, MET614E, PHE193D, PHE197D, PHE272E, PHE310E, PHE322E, PHE427E, PHE479E, PRO189D, PRO268E, PRO308E, PRO477E, PRO486E, PRO73D, PRO86D, SER187D, SER195D, SER196D, SER217D, SER221D, SER222D, SER225D, SER266E, SER267E, SER271E, SER295E, SER481E, SER494E, SER617E, THR216D, THR230D, THR255E, THR263E, THR264E, THR275E, THR292E, THR298E, THR304E, THR305E, THR309E, THR314E, THR430E, THR459E, THR78D, TRP324E, TYR160D, TYR188D, TYR262E, TYR329E, TYR484E, TYR80D, TYR94D, VAL261E, VAL323E, VAL85D
• D-F: ALA626F, ARG654F, ARG655F, ARG82D, ASN224D, ASN656F, ASN83D, ASP81D, GLU628F, GLU651F, GLU652F, GLY84D, ILE226D, LEU223D, LEU627F, LEU653F, LEU657F, MET219D, SER221D, SER222D, SER225D, TYR636F, TYR80D, VAL85D
• E-F: ALA346E, ALA482E, ALA491E, ALA626F, ALA650F, ALA681F, ALA734F, ARG418E, ARG426E, ARG463E, ARG492E, ARG654F, ARG655F, ARG733F, ASN350E, ASN417E, ASN470E, ASN501E, ASN619E, ASN656F, ASN679F, ASN683F, ASN735F, ASP260E, ASP349E, ASP414E, ASP431E, ASP471E, ASP485E, ASP488E, ASP648F, ASP698F, ASP750F, GLN489E, GLN495E, GLN629F, GLN632F, GLN633F, GLN659F, GLN684F, GLN685F, GLN728F, GLN730F, GLU432E, GLU476E, GLU497E, GLU628F, GLU651F, GLU652F, GLU695F, GLY428E, GLY472E, GLY500E, GLY647F, GLY664F, GLY701F, ILE480E, ILE483E, ILE498E, ILE644F, ILE661F, LEU413E, LEU416E, LEU429E, LEU475E, LEU627F, LEU649F, LEU653F, LEU657F, LEU680F, LYS259E, LYS420E, LYS478E, LYS493E, LYS496E, LYS505E, LYS729F, MET407E, MET474E, MET699F, PHE419E, PHE427E, PHE479E, PRO424E, PRO477E, PRO486E, PRO502E, PRO635F, PRO637F, PRO646F, PRO660F, PRO682F, PRO697F, SER481E, SER494E, SER504E, SER631F, SER634F, SER645F, THR263E, THR264E, THR411E, THR425E, THR430E, THR490E, THR665F, THR726F, THR736F, TRP702F, TYR262E, TYR415E, TYR484E, TYR636F, TYR700F, VAL261E, VAL423E, VAL473E, VAL499E, VAL503E, VAL630F, VAL658F, VAL662F, VAL663F, VAL686F, VAL696F, VAL727F, VAL732F