3QQ1

crystal structure of a double mutant [a58p, del(n59)] of 3-deoxy-d- manno-octulosonate 8-phosphate synthase (kdo8ps) from neisseria meningitidis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 16
  • Norm. En. per Res.: -3.0519
• 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	-17.1574	-250.597	-267.7544	134	8	19	12730	0	10	16
A-C	-49.215	9.3613	-263.413	-303.2667	131	12	8	10823	3	36	38
A-D	0.0	0.0	-48.8308	-48.8308	16	0	0	1284	0	0	1
B-C	0.0	0.0	-46.5784	-46.5784	16	0	0	1289	0	0	1
B-D	-19.0903	-30.1136	-264.552	-313.756	130	5	6	11694	7	33	37
C-D	-4.5586	-8.4016	-243.75	-256.7102	128	4	18	11959	0	11	17

Interface residues

• A-B: ALA215A, ALA215B, ALA217A, ALA217B, ALA221A, ALA221B, ALA223A, ALA223B, ALA226A, ALA226B, ALA265A, ALA265B, ARG213A, ARG213B, ARG214A, ARG214B, ARG228A, ARG228B, ARG262A, ARG262B, ASN172A, ASN172B, ASP176A, ASP176B, ASP219A, ASP219B, ASP258A, ASP258B, ASP267A, ASP267B, ASP268A, ASP268B, GLN137A, GLN137B, GLN185B, GLN201A, GLN201B, GLN216A, GLN216B, GLN273A, GLN273B, GLU257A, GLU257B, GLY165A, GLY169A, GLY169B, GLY179A, GLY179B, GLY181A, GLY181B, GLY212A, GLY212B, GLY224A, GLY224B, HIS254A, HIS254B, ILE261A, ILE261B, ILE263A, ILE263B, ILE270A, ILE270B, ILE275A, ILE275B, ILE278B, LEU139A, LEU139B, LEU173A, LEU173B, LEU178A, LEU178B, LEU200A, LEU200B, LEU218A, LEU218B, LEU220A, LEU220B, LEU222A, LEU222B, LEU229B, LEU253A, LEU255A, LEU255B, LEU260B, LEU266A, LEU266B, LEU269A, LEU269B, LEU276A, LEU276B, LYS135A, LYS184A, LYS184B, LYS264A, LYS264B, MET177A, MET177B, MET225A, MET225B, PHE138A, PHE138B, PHE168A, PHE168B, PHE180A, PHE180B, PHE194A, PHE194B, PHE259A, PHE259B, PRO141A, PRO141B, PRO274A, PRO274B, SER140A, SER140B, SER166A, SER166B, SER167A, SER167B, SER199A, SER199B, SER272A, SER272B, THR227A, THR227B, THR277B, VAL174A, VAL174B, VAL175A, VAL175B, VAL182A, VAL182B, VAL196A, VAL196B
• A-C: ALA112A, ALA112C, ALA115A, ALA115C, ALA125A, ALA125C, ALA154A, ALA154C, ARG116A, ARG116C, ARG164A, ARG164C, ARG59A, ARG59C, ARG66A, ARG66C, ASN146A, ASN146C, ASN172A, ASN172C, ASP119A, ASP119C, ASP171A, ASP171C, ASP176A, ASP176C, ASP56A, ASP56C, GLN117A, GLN117C, GLN137A, GLN137C, GLN143A, GLN143C, GLN97A, GLN97C, GLU149A, GLU149C, GLU153A, GLU153C, GLU163A, GLU163C, GLU94A, GLU94C, GLY155A, GLY155C, GLY165A, GLY165C, GLY169A, GLY169C, GLY179A, GLY179C, HIS152A, HIS152C, HIS63A, HIS63C, HIS93A, HIS93C, HIS96A, HIS96C, ILE147A, ILE62A, ILE62C, LEU114A, LEU114C, LEU120A, LEU120C, LEU139A, LEU139C, LEU173A, LEU173C, LEU178A, LEU178C, LYS126A, LYS126C, LYS135A, LYS135C, LYS150A, LYS150C, LYS57A, LYS57C, MET177A, MET177C, MET183A, PHE113A, PHE113C, PHE138A, PHE138C, PHE151A, PHE151C, PHE168A, PHE168C, PHE180A, PHE180C, PRO111A, PRO136A, PRO136C, PRO141A, PRO141C, PRO58A, PRO58C, PRO95A, PRO95C, SER140A, SER140C, SER142A, SER142C, SER166A, SER166C, SER167A, SER167C, SER60A, SER60C, SER61A, SER61C, SER64A, SER64C, THR118A, THR118C, TYR170A, TYR170C, VAL121A, VAL121C, VAL122A, VAL122C, VAL174A, VAL174C, VAL175A, VAL175C, VAL182A, VAL182C
• A-D: ASN172A, ASN172D, ASP171A, ASP171D, GLY169A, GLY169D, LEU173A, LEU173D, PHE168A, PHE168D, SER167A, SER167D, TYR170A, TYR170D, VAL174A, VAL174D
• B-C: ASN172B, ASN172C, ASP171B, ASP171C, GLY169B, GLY169C, LEU173B, LEU173C, PHE168B, PHE168C, SER167B, SER167C, TYR170B, TYR170C, VAL174B, VAL174C
• B-D: ALA112B, ALA112D, ALA115B, ALA115D, ALA123D, ALA125B, ALA125D, ALA154B, ALA154D, ARG116B, ARG116D, ARG164B, ARG164D, ARG59B, ARG59D, ARG66B, ARG66D, ASN146B, ASN146D, ASN172B, ASN172D, ASP119B, ASP119D, ASP171B, ASP171D, ASP176B, ASP176D, ASP56B, ASP56D, GLN117B, GLN117D, GLN137B, GLN137D, GLN143B, GLN143D, GLN201D, GLU149B, GLU149D, GLU153B, GLU153D, GLU163B, GLU163D, GLU94B, GLU94D, GLY155B, GLY155D, GLY165B, GLY165D, GLY169B, GLY169D, GLY179B, GLY179D, HIS152B, HIS152D, HIS63B, HIS63D, HIS93B, HIS93D, HIS96B, HIS96D, ILE147D, ILE62B, ILE62D, LEU114B, LEU114D, LEU120B, LEU120D, LEU139B, LEU139D, LEU173B, LEU173D, LEU178B, LEU178D, LYS126D, LYS135B, LYS135D, LYS150B, LYS150D, LYS57B, LYS57D, MET177B, MET177D, MET183B, PHE113B, PHE113D, PHE138B, PHE138D, PHE151B, PHE151D, PHE168B, PHE168D, PRO111B, PRO111D, PRO136B, PRO136D, PRO141B, PRO141D, PRO58B, PRO58D, PRO95B, PRO95D, SER140B, SER140D, SER142B, SER142D, SER166B, SER166D, SER167B, SER167D, SER60B, SER60D, SER61B, SER61D, SER64B, SER64D, THR118B, THR118D, THR202D, TYR170B, TYR170D, VAL121B, VAL121D, VAL122B, VAL122D, VAL174B, VAL174D, VAL175B, VAL175D, VAL182B, VAL182D
• C-D: ALA215C, ALA215D, ALA217C, ALA217D, ALA221C, ALA221D, ALA223C, ALA223D, ALA226C, ALA226D, ALA265C, ALA265D, ARG214C, ARG228C, ARG228D, ARG262C, ARG262D, ASN172C, ASN172D, ASP176C, ASP176D, ASP219C, ASP219D, ASP258C, ASP258D, ASP267C, ASP267D, ASP268C, ASP268D, GLN137C, GLN137D, GLN185C, GLN185D, GLN201C, GLN201D, GLN216C, GLN216D, GLN273C, GLN273D, GLU257D, GLY165D, GLY169C, GLY169D, GLY179C, GLY179D, GLY181C, GLY181D, GLY224C, GLY224D, HIS254D, ILE261C, ILE261D, ILE263C, ILE263D, ILE270C, ILE270D, ILE275C, ILE275D, LEU139C, LEU139D, LEU173C, LEU173D, LEU178C, LEU178D, LEU200C, LEU200D, LEU218C, LEU218D, LEU220C, LEU220D, LEU222C, LEU222D, LEU251D, LEU255C, LEU255D, LEU256D, LEU260D, LEU266C, LEU266D, LEU269C, LEU269D, LEU276C, LEU276D, LYS135D, LYS184C, LYS184D, LYS264C, LYS264D, MET177C, MET177D, MET183C, MET225C, MET225D, PHE138C, PHE138D, PHE168C, PHE168D, PHE180C, PHE180D, PHE194C, PHE194D, PHE259C, PHE259D, PRO141C, PRO141D, PRO274C, PRO274D, SER140C, SER140D, SER166C, SER166D, SER167C, SER167D, SER199C, SER199D, SER272C, SER272D, THR202D, THR227C, THR227D, VAL174C, VAL174D, VAL175C, VAL175D, VAL182C, VAL182D, VAL196C, VAL196D