3STC

crystal structure of loop 7 truncated mutant of 3-deoxy-d-manno- octulosonate 8-phosphate synthase (kdo8ps) from neisseria meningitidis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 136
  • Norm. En. per Res.: -3.866
• Hub Node: A(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	0.0	-20.4074	-279.15	-299.5574	134	11	18	13273	0	14	16
A-C	-76.8278	-73.6351	-331.421	-481.8839	136	16	8	13067	8	36	40
A-D	0.0	0.0	-48.7143	-48.7143	17	0	0	1304	0	0	1
B-C	0.0	0.0	-46.5175	-46.5175	17	0	0	1302	0	0	1
B-D	-72.0356	-101.2905	-352.446	-525.7721	136	13	8	13437	11	37	39
C-D	-2.3972	-21.4393	-351.589	-375.4255	154	14	27	16715	0	12	18

Interface residues

• A-B: ALA205A, ALA205B, ALA207A, ALA207B, ALA211A, ALA211B, ALA213A, ALA213B, ALA216A, ALA216B, ALA255A, ALA255B, ARG203A, ARG203B, ARG218A, ARG218B, ARG252A, ARG252B, ASN173A, ASN173B, ASP177A, ASP177B, ASP209A, ASP209B, ASP248A, ASP248B, ASP257A, ASP257B, ASP258A, ASP258B, GLN138A, GLN138B, GLN186A, GLN186B, GLN206A, GLN206B, GLN263A, GLN263B, GLU247A, GLU247B, GLY166A, GLY166B, GLY170A, GLY170B, GLY180A, GLY180B, GLY182A, GLY182B, GLY202A, GLY202B, GLY214A, GLY214B, HIS244A, ILE251A, ILE251B, ILE253A, ILE253B, ILE260A, ILE260B, ILE265A, ILE265B, LEU140A, LEU140B, LEU174A, LEU174B, LEU179A, LEU179B, LEU201A, LEU201B, LEU208A, LEU208B, LEU210A, LEU210B, LEU212A, LEU212B, LEU219A, LEU219B, LEU241B, LEU243A, LEU245A, LEU245B, LEU246B, LEU250B, LEU256A, LEU256B, LEU259A, LEU259B, LEU266A, LEU266B, LYS136A, LYS136B, LYS185A, LYS185B, LYS254A, LYS254B, LYS261A, MET178A, MET178B, MET215A, MET215B, PHE139A, PHE139B, PHE169A, PHE169B, PHE181A, PHE181B, PHE195A, PHE195B, PHE249A, PHE249B, PRO142A, PRO142B, PRO264A, PRO264B, SER141A, SER141B, SER167A, SER167B, SER168A, SER168B, SER200A, SER200B, SER262A, SER262B, THR217A, THR217B, VAL175A, VAL175B, VAL176A, VAL176B, VAL183A, VAL183B, VAL197A, VAL197B
• A-C: ALA113A, ALA113C, ALA116A, ALA116C, ALA124C, ALA126A, ALA126C, ALA155A, ALA155C, ALA58A, ALA58C, ARG117A, ARG117C, ARG165A, ARG165C, ARG60A, ARG60C, ARG67A, ARG67C, ASN147A, ASN147C, ASN173A, ASN173C, ASN59A, ASN59C, ASP120A, ASP120C, ASP172A, ASP172C, ASP177A, ASP177C, ASP56A, ASP56C, GLN118A, GLN118C, GLN138A, GLN138C, GLN144A, GLN144C, GLN98A, GLN98C, GLU150A, GLU150C, GLU154A, GLU154C, GLU164A, GLU164C, GLU95A, GLU95C, GLY156A, GLY156C, GLY166A, GLY166C, GLY170A, GLY170C, GLY180A, GLY180C, HIS153A, HIS153C, HIS64A, HIS64C, HIS94A, HIS94C, HIS97A, HIS97C, ILE148A, ILE148C, ILE63A, ILE63C, LEU115A, LEU115C, LEU121A, LEU121C, LEU140A, LEU140C, LEU174A, LEU174C, LEU179A, LEU179C, LYS127A, LYS127C, LYS136A, LYS136C, LYS151A, LYS151C, LYS57A, LYS57C, MET178A, MET178C, MET184A, MET184C, PHE114A, PHE114C, PHE139A, PHE139C, PHE152A, PHE152C, PHE169A, PHE169C, PHE181A, PHE181C, PRO112A, PRO137A, PRO137C, PRO142A, PRO142C, PRO96A, PRO96C, SER141A, SER141C, SER143A, SER143C, SER167A, SER167C, SER168A, SER168C, SER61A, SER61C, SER62A, SER62C, SER65A, SER65C, THR119A, THR119C, TYR171A, TYR171C, VAL122A, VAL122C, VAL123A, VAL123C, VAL175A, VAL175C, VAL176A, VAL176C, VAL183A, VAL183C
• A-D: ASN173A, ASN173D, ASP172A, ASP172D, GLN206A, GLY170A, GLY170D, LEU174A, LEU174D, PHE169A, PHE169D, SER168A, SER168D, TYR171A, TYR171D, VAL175A, VAL175D
• B-C: ASN173B, ASN173C, ASP172B, ASP172C, GLN206C, GLY170B, GLY170C, LEU174B, LEU174C, PHE169B, PHE169C, SER168B, SER168C, TYR171B, TYR171C, VAL175B, VAL175C
• B-D: ALA113B, ALA113D, ALA116B, ALA116D, ALA124D, ALA126B, ALA126D, ALA155B, ALA155D, ALA58B, ALA58D, ARG117B, ARG117D, ARG165B, ARG165D, ARG60B, ARG60D, ARG67B, ARG67D, ASN147B, ASN147D, ASN173B, ASN173D, ASN59B, ASN59D, ASP120B, ASP120D, ASP172B, ASP172D, ASP177B, ASP177D, ASP56B, ASP56D, GLN118B, GLN118D, GLN138B, GLN138D, GLN144B, GLN144D, GLN98D, GLU150B, GLU150D, GLU154B, GLU154D, GLU164B, GLU164D, GLU95B, GLU95D, GLY156B, GLY156D, GLY166B, GLY166D, GLY170B, GLY170D, GLY180B, GLY180D, HIS153B, HIS153D, HIS199B, HIS64B, HIS64D, HIS94B, HIS94D, HIS97B, HIS97D, ILE148B, ILE148D, ILE63B, ILE63D, LEU115B, LEU115D, LEU121B, LEU121D, LEU140B, LEU140D, LEU174B, LEU174D, LEU179B, LEU179D, LYS127B, LYS127D, LYS136B, LYS136D, LYS151B, LYS151D, LYS57B, LYS57D, MET145D, MET178B, MET178D, MET184B, PHE114B, PHE114D, PHE139B, PHE139D, PHE152B, PHE152D, PHE169B, PHE169D, PRO112B, PRO112D, PRO137B, PRO137D, PRO142B, PRO142D, PRO96B, PRO96D, SER141B, SER141D, SER143B, SER143D, SER167B, SER167D, SER168B, SER168D, SER61B, SER61D, SER62B, SER62D, SER65B, SER65D, THR119B, THR119D, TYR171B, TYR171D, VAL122B, VAL122D, VAL123B, VAL123D, VAL175B, VAL175D, VAL176B, VAL176D, VAL183B, VAL183D, VAL93D
• C-D: ALA205C, ALA205D, ALA207C, ALA207D, ALA211C, ALA211D, ALA213C, ALA213D, ALA216C, ALA216D, ALA240C, ALA240D, ALA255C, ALA255D, ARG203C, ARG203D, ARG204C, ARG204D, ARG218C, ARG218D, ARG252C, ARG252D, ASN173C, ASN173D, ASP177C, ASP177D, ASP209C, ASP209D, ASP248C, ASP248D, ASP257C, ASP257D, ASP258C, ASP258D, GLN138C, GLN138D, GLN186C, GLN186D, GLN206C, GLN206D, GLN263C, GLN263D, GLU247C, GLU247D, GLY166C, GLY166D, GLY170C, GLY170D, GLY180C, GLY180D, GLY182C, GLY182D, GLY202C, GLY202D, GLY214C, GLY214D, HIS227C, HIS227D, HIS244C, HIS244D, ILE251C, ILE251D, ILE253C, ILE253D, ILE260C, ILE260D, ILE265C, ILE265D, ILE268C, ILE268D, LEU140C, LEU140D, LEU174C, LEU174D, LEU179C, LEU179D, LEU201C, LEU201D, LEU208C, LEU208D, LEU210C, LEU210D, LEU212C, LEU212D, LEU219D, LEU241C, LEU241D, LEU245C, LEU245D, LEU246C, LEU246D, LEU250C, LEU250D, LEU256C, LEU256D, LEU259C, LEU259D, LEU266C, LEU266D, LYS136D, LYS185C, LYS185D, LYS254C, LYS254D, LYS261C, LYS261D, MET178C, MET178D, MET215C, MET215D, PHE139C, PHE139D, PHE169C, PHE169D, PHE181C, PHE181D, PHE195C, PHE195D, PHE249C, PHE249D, PRO142C, PRO142D, PRO238C, PRO238D, PRO242C, PRO242D, PRO264C, PRO264D, SER141C, SER141D, SER143D, SER167C, SER167D, SER168C, SER168D, SER200C, SER200D, SER239C, SER239D, SER262C, SER262D, THR187D, THR217C, THR217D, THR267C, THR267D, VAL175C, VAL175D, VAL176C, VAL176D, VAL183C, VAL183D, VAL197C, VAL197D