3STG

crystal structure of a58p, del(n59), and 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-C
  • Int. Res.: 16
  • Norm. En. per Res.: -3.2483
• 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	-3.1977	-29.6629	-395.018	-427.8786	159	8	28	18569	0	22	23
A-C	-57.2669	9.7401	-282.851	-330.3778	132	11	6	11583	8	36	35
A-D	0.0	0.0	-51.2867	-51.2867	17	1	0	1376	0	0	1
B-C	0.0	0.0	-51.9736	-51.9736	16	2	0	1453	0	0	1
B-D	-57.0424	-2.5336	-313.115	-372.691	130	13	6	12500	7	36	37
C-D	-2.8059	-29.0431	-388.642	-420.4909	155	11	26	18150	0	22	23

Interface residues

• A-B: ALA204A, ALA204B, ALA206A, ALA206B, ALA210A, ALA210B, ALA212A, ALA212B, ALA215A, ALA215B, ALA239A, ALA239B, ALA254A, ALA254B, ARG202A, ARG202B, ARG203A, ARG203B, ARG217A, ARG217B, ARG251A, ARG251B, ASN172A, ASN172B, ASP176A, ASP176B, ASP208A, ASP208B, ASP228A, ASP247A, ASP247B, ASP256A, ASP256B, ASP257A, ASP257B, GLN137A, GLN137B, GLN185A, GLN185B, GLN205A, GLN205B, GLN262A, GLN262B, GLU246A, GLU246B, GLU268A, GLU268B, GLY165A, GLY165B, GLY169A, GLY169B, GLY179A, GLY179B, GLY181A, GLY181B, GLY201A, GLY201B, GLY213A, GLY213B, HIS226B, HIS243A, HIS243B, ILE250A, ILE250B, ILE252A, ILE252B, ILE259A, ILE259B, ILE264A, ILE264B, ILE267A, ILE267B, LEU139A, LEU139B, LEU173A, LEU173B, LEU178A, LEU178B, LEU200A, LEU200B, LEU207A, LEU207B, LEU209A, LEU209B, LEU211A, LEU211B, LEU218A, LEU218B, LEU223A, LEU223B, LEU240A, LEU240B, LEU244A, LEU244B, LEU245A, LEU245B, LEU249A, LEU249B, LEU255A, LEU255B, LEU258A, LEU258B, LEU265A, LEU265B, LYS135A, LYS135B, LYS184A, LYS184B, LYS253A, LYS253B, MET177A, MET177B, MET183A, MET183B, MET214A, MET214B, PHE138A, PHE138B, PHE168A, PHE168B, PHE180A, PHE180B, PHE194A, PHE194B, PHE248A, PHE248B, PRO141A, PRO141B, PRO237A, PRO241A, PRO241B, PRO263A, PRO263B, SER140A, SER140B, SER166A, SER166B, SER167A, SER167B, SER199A, SER199B, SER238A, SER238B, SER261A, SER261B, THR186A, THR186B, THR216A, THR216B, THR266A, THR266B, 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, 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, ILE147C, ILE62A, ILE62C, LEU114A, LEU114C, LEU120A, LEU120C, LEU139A, LEU139C, LEU173A, LEU173C, LEU178A, LEU178C, LYS126A, LYS126C, LYS135A, LYS135C, LYS150A, LYS150C, LYS57A, LYS57C, MET177A, MET177C, MET183A, MET183C, PHE113A, PHE113C, PHE138A, PHE138C, PHE151A, PHE151C, PHE168A, PHE168C, PHE180C, PRO111A, PRO111C, 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, VAL92A
• A-D: ASN172A, ASN172D, ASP171A, ASP171D, GLY169A, GLY169D, LEU173A, LEU173D, PHE168A, PHE168D, SER167A, SER167D, TYR170A, TYR170D, VAL174A, VAL174D, VAL175A
• B-C: ASN172B, ASN172C, ASP171B, ASP171C, GLY169B, GLY169C, LEU173B, LEU173C, PHE168B, PHE168C, SER167B, SER167C, TYR170B, TYR170C, VAL174B, VAL174C
• B-D: ALA112B, ALA112D, ALA115B, ALA115D, ALA125B, ALA125D, ALA154B, ALA154D, ARG116B, ARG116D, ARG164B, ARG164D, ARG59B, ARG59D, ARG66B, ARG66D, ASN146B, ASN146D, ASN156D, ASN172B, ASN172D, ASP119B, ASP119D, ASP171B, ASP171D, ASP176B, ASP176D, ASP56B, ASP56D, GLN117B, GLN117D, GLN137B, GLN137D, GLN143B, GLN143D, GLN97B, 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, MET183D, 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, TYR170B, TYR170D, VAL121B, VAL121D, VAL122B, VAL122D, VAL174B, VAL174D, VAL175B, VAL175D, VAL182B, VAL182D, VAL92B
• C-D: ALA204C, ALA204D, ALA206C, ALA206D, ALA210C, ALA210D, ALA212C, ALA212D, ALA215C, ALA215D, ALA239C, ALA239D, ALA254C, ALA254D, ARG202C, ARG202D, ARG203C, ARG203D, ARG217C, ARG217D, ARG251C, ARG251D, ASN172C, ASN172D, ASP176C, ASP176D, ASP208C, ASP208D, ASP228C, ASP247C, ASP247D, ASP256C, ASP256D, ASP257C, ASP257D, GLN137C, GLN137D, GLN185C, GLN185D, GLN205C, GLN205D, GLN262C, GLN262D, GLU246C, GLU246D, GLU268C, GLU268D, GLY165C, GLY165D, GLY169C, GLY169D, GLY179C, GLY179D, GLY181C, GLY181D, GLY201C, GLY201D, GLY213C, GLY213D, HIS243C, HIS243D, ILE250C, ILE250D, ILE252C, ILE252D, ILE259C, ILE259D, ILE264C, ILE264D, ILE267C, ILE267D, LEU139C, LEU139D, LEU173C, LEU173D, LEU178C, LEU178D, LEU200C, LEU200D, LEU207C, LEU207D, LEU209C, LEU209D, LEU211C, LEU211D, LEU240C, LEU240D, LEU244C, LEU244D, LEU245C, LEU245D, LEU249C, LEU249D, LEU255C, LEU255D, LEU258C, LEU258D, LEU265C, LEU265D, LYS135C, LYS135D, LYS184C, LYS184D, LYS253C, LYS253D, LYS260C, LYS260D, MET177C, MET177D, MET183C, MET183D, MET214C, MET214D, PHE138C, PHE138D, PHE168C, PHE168D, PHE180C, PHE180D, PHE194C, PHE194D, PHE248C, PHE248D, PRO141C, PRO141D, PRO241C, PRO241D, PRO263C, PRO263D, SER140C, SER140D, SER166C, SER166D, SER167C, SER167D, SER199C, SER199D, SER238C, SER238D, SER261C, SER261D, THR186C, THR186D, THR216C, THR216D, THR266C, THR266D, VAL174C, VAL174D, VAL175C, VAL175D, VAL182C, VAL182D, VAL196C, VAL196D