1SUW

crystal structure of a nad kinase from archaeoglobus fulgidus in complex with its substrate and product: insights into the catalysis of nad kinase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 120
  • Norm. En. per Res.: -5.0337
• 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	-156.0763	-77.0624	-361.511	-594.6497	120	29	14	15033	7	31	36
A-C	0.0	0.0	-51.7096	-51.7096	20	0	0	1709	0	0	5
A-D	-5.9788	6.6092	-263.028	-262.3976	123	12	17	10224	0	16	27
B-C	-14.5255	6.7336	-266.693	-274.4848	121	16	16	10378	0	16	27
B-D	0.0	0.0	-51.647	-51.647	22	0	0	1696	0	0	5
C-D	-159.3466	-79.7129	-364.989	-604.0485	120	27	14	14775	7	32	34

Interface residues

• A-B: ALA159A, ALA159B, ALA162A, ALA162B, ARG133A, ARG133B, ARG141A, ARG141B, ARG183A, ARG183B, ARG195A, ARG195B, ARG237A, ARG237B, ARG239A, ARG239B, ARG246A, ARG246B, ASN240A, ASN240B, ASP135A, ASP135B, ASP140A, ASP140B, CYS173A, CYS173B, GLN152A, GLN152B, GLU138A, GLU138B, GLU168A, GLU168B, GLU172A, GLU172B, GLU194A, GLU194B, GLY136A, GLY136B, GLY157A, GLY157B, GLY163A, GLY163B, GLY164A, GLY164B, GLY185A, GLY185B, GLY243A, GLY243B, ILE142A, ILE142B, ILE175A, ILE175B, ILE177A, ILE177B, ILE197A, ILE197B, ILE248A, ILE248B, LEU132A, LEU132B, LEU171A, LEU171B, LEU176A, LEU176B, LEU241A, LEU241B, LYS187A, LYS187B, LYS196A, LYS196B, LYS236A, LYS236B, MET193A, MET193B, PHE160A, PHE160B, PHE174A, PHE174B, PHE238A, PHE238B, PHE242A, PHE242B, PRO165A, PRO165B, PRO169A, PRO169B, PRO188A, PRO188B, SER155A, SER155B, SER161A, SER161B, SER192A, SER192B, THR156A, THR156B, TRP186A, TRP186B, TYR158A, TYR158B, TYR170A, TYR170B, TYR189A, TYR189B, VAL134A, VAL134B, VAL137A, VAL137B, VAL139A, VAL139B, VAL166A, VAL166B, VAL167A, VAL167B, VAL190A, VAL190B, VAL191A, VAL191B, VAL245A, VAL245B
• A-C: ARG183A, ARG183C, ASP140A, ASP140C, GLY185A, GLY185C, ILE142A, ILE142C, LYS187A, LYS187C, PHE184A, PHE184C, PRO181A, PRO181C, PRO188A, PRO188C, TRP186A, TRP186C, TYR189A, TYR189C
• A-D: ALA118A, ALA118D, ALA125A, ALA125D, ALA159A, ALA159D, ALA162A, ALA162D, ALA180A, ALA180D, ALA204A, ALA208A, ALA208D, ARG122A, ARG122D, ARG141A, ARG141D, ARG143A, ARG143D, ARG183A, ARG183D, ARG246A, ARG246D, ARG54A, ARG54D, ARG72A, ARG72D, ASN115A, ASN115D, ASP129A, ASP129D, ASP145A, ASP145D, ASP209A, ASP209D, ASP215A, ASP215D, ASP49A, ASP49D, CYS144A, CYS144D, GLN211A, GLN211D, GLU116A, GLU116D, GLY146A, GLY146D, GLY154A, GLY154D, GLY157A, GLY157D, GLY163A, GLY163D, GLY185A, GLY185D, GLY210A, GLY210D, GLY249A, GLY249D, ILE142A, ILE142D, ILE148A, ILE148D, ILE179A, ILE179D, ILE205A, ILE205D, ILE248A, ILE248D, LEU120A, LEU120D, LEU75A, LEU75D, LYS123A, LYS123D, LYS126A, LYS126D, LYS244A, LYS244D, MET127A, MET127D, PHE160A, PHE160D, PHE182A, PHE182D, PHE184A, PHE184D, PHE242A, PHE242D, PRO124A, PRO124D, PRO178A, PRO178D, PRO181A, PRO181D, SER121A, SER121D, SER155A, SER155D, SER161A, SER161D, SER213A, SER213D, SER247A, SER247D, THR156A, THR156D, TRP186A, TRP186D, TYR158A, TYR158D, VAL119A, VAL119D, VAL166A, VAL166D, VAL206A, VAL206D, VAL207A, VAL207D, VAL245A, VAL245D, VAL73A, VAL73D
• B-C: ALA118B, ALA118C, ALA125B, ALA125C, ALA159B, ALA159C, ALA162B, ALA162C, ALA180B, ALA180C, ALA208B, ALA208C, ARG122B, ARG122C, ARG141B, ARG141C, ARG143B, ARG143C, ARG183B, ARG183C, ARG246B, ARG246C, ARG54B, ARG54C, ARG72B, ARG72C, ASN115B, ASN115C, ASP129B, ASP129C, ASP145B, ASP145C, ASP209B, ASP209C, ASP215B, ASP215C, ASP49B, ASP49C, CYS144B, CYS144C, GLN211B, GLN211C, GLU116B, GLY146B, GLY146C, GLY154B, GLY154C, GLY157B, GLY157C, GLY163B, GLY163C, GLY185B, GLY185C, GLY210B, GLY210C, GLY249B, GLY249C, ILE142B, ILE142C, ILE148B, ILE148C, ILE179B, ILE179C, ILE205B, ILE205C, ILE248B, ILE248C, LEU120B, LEU120C, LEU75B, LEU75C, LYS123B, LYS123C, LYS126B, LYS126C, LYS244B, LYS244C, MET127B, MET127C, PHE160B, PHE160C, PHE182B, PHE182C, PHE184B, PHE184C, PHE242B, PHE242C, PRO124B, PRO124C, PRO178B, PRO178C, PRO181B, PRO181C, SER121B, SER121C, SER155B, SER155C, SER161B, SER161C, SER213B, SER213C, SER247B, SER247C, THR156B, THR156C, TRP186B, TRP186C, TYR158B, TYR158C, VAL119B, VAL119C, VAL166B, VAL166C, VAL206B, VAL206C, VAL207B, VAL207C, VAL245B, VAL245C, VAL73B, VAL73C
• B-D: ARG183B, ARG183D, ASP140B, ASP140D, GLY185B, GLY185D, ILE142B, ILE142D, LYS187B, LYS187D, PHE182B, PHE182D, PHE184B, PHE184D, PRO181B, PRO181D, PRO188B, PRO188D, TRP186B, TRP186D, TYR189B, TYR189D
• C-D: ALA159C, ALA159D, ALA162C, ALA162D, ARG133C, ARG133D, ARG141C, ARG141D, ARG183C, ARG183D, ARG195C, ARG195D, ARG237C, ARG237D, ARG239C, ARG239D, ARG246C, ARG246D, ASN240C, ASN240D, ASP135C, ASP135D, ASP140C, ASP140D, CYS173C, CYS173D, GLN152C, GLN152D, GLU138C, GLU138D, GLU168C, GLU168D, GLU172C, GLU172D, GLU194C, GLU194D, GLY136C, GLY136D, GLY157C, GLY157D, GLY163C, GLY163D, GLY164C, GLY164D, GLY185C, GLY185D, GLY243C, GLY243D, ILE142C, ILE142D, ILE175C, ILE175D, ILE177C, ILE177D, ILE197C, ILE197D, ILE248C, ILE248D, LEU132C, LEU132D, LEU171C, LEU171D, LEU176C, LEU176D, LEU241C, LEU241D, LYS187C, LYS187D, LYS196C, LYS196D, LYS236C, LYS236D, MET193C, MET193D, PHE160C, PHE160D, PHE174C, PHE174D, PHE238C, PHE238D, PHE242C, PHE242D, PRO165C, PRO165D, PRO169C, PRO169D, PRO188C, PRO188D, SER155C, SER155D, SER161C, SER161D, SER192C, SER192D, THR156C, THR156D, TRP186C, TRP186D, TYR158C, TYR158D, TYR170C, TYR170D, TYR189C, TYR189D, VAL134C, VAL134D, VAL137C, VAL137D, VAL139C, VAL139D, VAL166C, VAL166D, VAL167C, VAL167D, VAL190C, VAL190D, VAL191C, VAL191D, VAL245C, VAL245D