2QKF

crystal structure 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.: -4.0618
• 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	-3.5738	-19.4843	-278.94	-301.998	137	7	20	13669	0	10	18
A-C	-105.6433	-84.1587	-357.762	-547.564	140	18	7	13260	12	35	41
A-D	0.0	0.0	-50.8842	-50.8842	17	0	0	1330	0	0	1
B-C	0.0	0.0	-49.5633	-49.5633	19	0	0	1298	0	0	1
B-D	-92.4553	-97.9654	-361.979	-552.3997	136	15	7	13860	12	36	39
C-D	-3.7888	-19.5437	-270.868	-294.2005	129	9	17	12436	0	10	18

Interface residues

• A-B: ALA216A, ALA216B, ALA218A, ALA218B, ALA222A, ALA222B, ALA224A, ALA224B, ALA227A, ALA227B, ALA266A, ALA266B, ARG214A, ARG214B, ARG215A, ARG215B, ARG229A, ARG229B, ARG263A, ARG263B, ASN173A, ASN173B, ASP177A, ASP177B, ASP220A, ASP220B, ASP259A, ASP259B, ASP268A, ASP268B, ASP269A, ASP269B, GLN138A, GLN138B, GLN186B, GLN202A, GLN202B, GLN217A, GLN217B, GLN274A, GLN274B, GLU258A, GLU258B, GLY166A, GLY166B, GLY170A, GLY170B, GLY180A, GLY180B, GLY182A, GLY182B, GLY213A, GLY213B, GLY225A, GLY225B, HIS255A, ILE262A, ILE262B, ILE264A, ILE264B, ILE271A, ILE271B, ILE276A, ILE276B, ILE279B, LEU140A, LEU140B, LEU174A, LEU174B, LEU179A, LEU179B, LEU201A, LEU201B, LEU219A, LEU219B, LEU221A, LEU221B, LEU223A, LEU223B, LEU230A, LEU230B, LEU254A, LEU256A, LEU256B, LEU257B, LEU261A, LEU261B, LEU267A, LEU267B, LEU270A, LEU270B, LEU277A, LEU277B, LYS136A, LYS136B, LYS185A, LYS185B, LYS265A, LYS265B, MET178A, MET178B, MET226A, MET226B, PHE139A, PHE139B, PHE169A, PHE169B, PHE181A, PHE181B, PHE195A, PHE195B, PHE260A, PHE260B, PRO142A, PRO142B, PRO275A, PRO275B, SER141A, SER141B, SER167A, SER167B, SER168A, SER168B, SER200A, SER200B, SER273A, THR228A, THR228B, THR278B, VAL175A, VAL175B, VAL176A, VAL176B, VAL183A, VAL183B, VAL197A, VAL197B
• A-C: ALA113A, ALA113C, ALA116A, ALA116C, ALA124A, ALA124C, ALA126A, ALA126C, ALA155A, ALA155C, ALA58A, ALA58C, ARG117A, ARG117C, ARG165A, ARG165C, ARG60A, ARG60C, ARG67A, ARG67C, ASN147A, ASN147C, ASN157A, ASN157C, 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, PRO112C, 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, GLY170A, GLY170D, LEU174A, LEU174D, PHE169A, PHE169D, SER168A, SER168D, THR203D, TYR171A, TYR171D, VAL175A, VAL175D
• B-C: ASN173B, ASN173C, ASP172B, ASP172C, ASP240C, ASP2B, GLN202C, 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, GLN202D, 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, MET178B, MET178D, 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, THR203D, TYR171B, TYR171D, VAL122B, VAL122D, VAL123B, VAL123D, VAL175B, VAL175D, VAL176B, VAL176D, VAL183B, VAL183D, VAL93D
• C-D: ALA216C, ALA216D, ALA218C, ALA218D, ALA222C, ALA222D, ALA224C, ALA224D, ALA227C, ALA227D, ALA266C, ALA266D, ARG215C, ARG229C, ARG229D, ARG263C, ARG263D, ASN173C, ASN173D, ASP177C, ASP177D, ASP220C, ASP220D, ASP259C, ASP259D, ASP268C, ASP268D, ASP269C, ASP269D, GLN138C, GLN138D, GLN186C, GLN186D, GLN202C, GLN202D, GLN217C, GLN217D, GLN274C, GLN274D, GLU258D, GLY166C, GLY166D, GLY170C, GLY170D, GLY180C, GLY180D, GLY182C, GLY182D, GLY225C, GLY225D, ILE262C, ILE262D, ILE264C, ILE264D, ILE271C, ILE271D, ILE276C, ILE276D, LEU140C, LEU140D, LEU174C, LEU174D, LEU179C, LEU179D, LEU201C, LEU201D, LEU219C, LEU219D, LEU221C, LEU221D, LEU223C, LEU223D, LEU230D, LEU252D, LEU256C, LEU256D, LEU257D, LEU261C, LEU261D, LEU267C, LEU267D, LEU270C, LEU270D, LEU277C, LEU277D, LYS185C, LYS185D, LYS265C, LYS265D, MET178C, MET178D, MET184C, MET226C, MET226D, PHE139C, PHE139D, PHE169C, PHE169D, PHE181C, PHE181D, PHE195C, PHE195D, PHE260C, PHE260D, PRO142C, PRO142D, PRO275C, PRO275D, SER141C, SER141D, SER167C, SER167D, SER168C, SER168D, SER200C, SER200D, SER273C, SER273D, THR203D, THR228C, THR228D, VAL175C, VAL175D, VAL176C, VAL176D, VAL183C, VAL183D, VAL197C, VAL197D