3RKU

substrate fingerprint and the structure of nadp+ dependent serine dehydrogenase from saccharomyces cerevisiae complexed with nadp+

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 156
  • Norm. En. per Res.: -4.6302
• 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	-112.9793	0.9135	-406.051	-518.1168	131	26	23	16719	2	22	29
A-C	-115.1931	-97.3307	-509.784	-722.3078	156	19	19	19262	6	64	34
A-D	0.0	23.006	-26.0027	-2.9967	20	0	0	977	0	6	10
B-C	0.0	22.6731	-25.1006	-2.4275	20	0	0	966	0	6	10
B-D	-128.5928	-99.3199	-504.634	-732.5467	161	15	19	19267	6	63	34
C-D	-134.1296	8.2645	-408.952	-534.8171	132	27	23	16902	2	22	29

Interface residues

• A-B: ALA116A, ALA116B, ALA130A, ALA130B, ALA137A, ALA137B, ALA157A, ALA157B, ALA161A, ALA161B, ALA170A, ALA170B, ALA174A, ALA174B, ALA177A, ALA177B, ALA79A, ALA79B, ARG111A, ARG111B, ARG159A, ARG159B, ARG183A, ARG183B, ASN133A, ASN133B, ASN152A, ASN188A, ASN188B, ASP110A, ASP110B, ASP119A, ASP119B, ASP125A, ASP125B, ASP160A, ASP160B, ASP180A, ASP180B, CYS169A, CYS169B, GLN114A, GLN114B, GLN121A, GLN121B, GLN136A, GLN136B, GLN143A, GLN143B, GLU185A, GLU185B, GLU80A, GLU80B, GLY113A, GLY113B, GLY158A, GLY158B, GLY165A, GLY165B, GLY176A, GLY176B, HIS262A, HIS262B, ILE115A, ILE115B, ILE120A, ILE120B, ILE132A, ILE132B, ILE150A, ILE150B, ILE167A, ILE167B, ILE187A, ILE187B, LEU131A, LEU131B, LEU139A, LEU139B, LEU182A, LEU182B, LEU186A, LEU186B, LYS172A, LYS172B, LYS184A, LYS184B, PHE124A, PHE124B, PHE173A, PHE173B, PHE178A, PHE178B, PRO140A, PRO140B, PRO163A, PRO163B, PRO261A, PRO261B, SER109A, SER109B, SER166A, SER166B, SER171A, SER171B, SER181A, SER181B, THR117A, THR117B, THR129A, THR129B, THR135A, THR135B, THR164A, THR164B, THR179A, THR179B, THR189A, THR189B, TYR162A, TYR162B, TYR168A, TYR168B, VAL112A, VAL112B, VAL128A, VAL128B, VAL138A, VAL138B, VAL175A, VAL175B
• A-C: ALA197A, ALA197C, ALA233A, ALA233C, ALA239A, ALA239C, ALA249A, ALA249C, ALA259A, ALA259C, ALA7A, ALA7C, ARG10A, ARG10C, ARG159A, ARG159C, ARG183A, ARG183C, ARG192A, ARG192C, ARG242A, ARG242C, ARG266A, ARG266C, ARG5A, ARG5C, ASN146A, ASN146C, ASN188A, ASN188C, ASN245A, ASN245C, ASN257A, ASN257C, ASP160A, ASP160C, ASP180A, ASP180C, ASP230A, ASP230C, ASP231A, ASP231C, ASP234A, ASP234C, ASP250A, ASP250C, GLN244A, GLN244C, GLN258A, GLN258C, GLN3A, GLN3C, GLU185A, GLU185C, GLU32A, GLU32C, GLY199A, GLY199C, GLY267A, GLY267C, GLY4A, GLY4C, HIS0A, HIS0C, HIS262A, HIS262C, HIS263A, HIS263C, ILE156A, ILE156C, ILE187A, ILE187C, ILE191A, ILE191C, ILE194A, ILE194C, ILE196A, ILE196C, ILE236A, ILE236C, ILE248A, ILE248C, ILE253A, ILE253C, ILE264A, ILE264C, LEU182A, LEU182C, LEU186A, LEU186C, LEU195A, LEU195C, LEU200A, LEU200C, LEU227A, LEU227C, LEU235A, LEU235C, LEU252A, LEU252C, LYS184A, LYS184C, LYS190A, LYS190C, LYS243A, LYS243C, LYS6A, LYS6C, MET1A, MET1C, MET228A, MET228C, PHE254A, PHE254C, PHE265A, PHE265C, PRO198A, PRO198C, PRO226A, PRO226C, PRO255A, PRO255C, PRO261A, PRO261C, SER147A, SER147C, SER181A, SER181C, SER260A, SER260C, SER2A, SER2C, THR179A, THR179C, THR189A, THR189C, THR224A, THR224C, THR225A, THR225C, THR246A, THR246C, THR251A, THR251C, THR256A, THR256C, TYR238A, TYR238C, VAL193A, VAL193C, VAL232A, VAL232C, VAL237A, VAL237C, VAL247A, VAL247C
• A-D: ALA161A, ALA161D, ALA259A, ALA259D, ARG111A, ARG111D, ASP160A, ASP160D, HIS262A, HIS262D, HIS263A, HIS263D, PRO163A, PRO163D, PRO261A, PRO261D, SER260A, SER260D, TYR162A, TYR162D
• B-C: ALA161B, ALA161C, ALA259B, ALA259C, ARG111B, ARG111C, ASP160B, ASP160C, HIS262B, HIS262C, HIS263B, HIS263C, PRO163B, PRO163C, PRO261B, PRO261C, SER260B, SER260C, TYR162B, TYR162C
• B-D: ALA197B, ALA197D, ALA233B, ALA233D, ALA239B, ALA239D, ALA249B, ALA249D, ALA259B, ALA259D, ALA7B, ALA7D, ARG10B, ARG10D, ARG159B, ARG159D, ARG183B, ARG183D, ARG192B, ARG192D, ARG242B, ARG242D, ARG266B, ARG266D, ARG5B, ARG5D, ASN146B, ASN146D, ASN188B, ASN188D, ASN245B, ASN245D, ASN257B, ASN257D, ASP149B, ASP149D, ASP160B, ASP160D, ASP180B, ASP180D, ASP230B, ASP230D, ASP231B, ASP231D, ASP234B, ASP234D, ASP250B, ASP250D, GLN244B, GLN244D, GLN258B, GLN258D, GLN3B, GLN3D, GLU185B, GLU185D, GLU32B, GLU32D, GLY148B, GLY148D, GLY199B, GLY199D, GLY267B, GLY267D, GLY4B, GLY4D, HIS0B, HIS0D, HIS262B, HIS262D, HIS263B, HIS263D, ILE156B, ILE156D, ILE187B, ILE187D, ILE191B, ILE191D, ILE194B, ILE194D, ILE196B, ILE196D, ILE236B, ILE236D, ILE248B, ILE248D, ILE253B, ILE253D, ILE264B, ILE264D, LEU182B, LEU182D, LEU186B, LEU186D, LEU195B, LEU195D, LEU200B, LEU200D, LEU227B, LEU227D, LEU235B, LEU235D, LEU252B, LEU252D, LYS184B, LYS184D, LYS190B, LYS190D, LYS243B, LYS243D, LYS6B, LYS6D, MET1B, MET1D, MET228B, MET228D, PHE254B, PHE254D, PHE265B, PHE265D, PRO198B, PRO198D, PRO226B, PRO226D, PRO255B, PRO255D, PRO261B, PRO261D, SER147B, SER181B, SER181D, SER241B, SER241D, SER260B, SER260D, SER2B, SER2D, THR179B, THR179D, THR189B, THR189D, THR224B, THR224D, THR225B, THR225D, THR246B, THR246D, THR251B, THR251D, THR256B, THR256D, TYR238B, TYR238D, VAL193B, VAL193D, VAL232B, VAL232D, VAL237B, VAL237D, VAL247B, VAL247D
• C-D: ALA116C, ALA116D, ALA130C, ALA130D, ALA137C, ALA137D, ALA157C, ALA157D, ALA161C, ALA161D, ALA170C, ALA170D, ALA174C, ALA174D, ALA177C, ALA177D, ALA79C, ALA79D, ARG111C, ARG111D, ARG159C, ARG159D, ARG183C, ARG183D, ASN133C, ASN133D, ASN152D, ASN188C, ASN188D, ASP110C, ASP110D, ASP119C, ASP119D, ASP125C, ASP125D, ASP160C, ASP160D, ASP180C, ASP180D, CYS169C, CYS169D, GLN114C, GLN114D, GLN121C, GLN121D, GLN136C, GLN136D, GLN143C, GLN143D, GLU185C, GLU185D, GLU80C, GLU80D, GLY113C, GLY113D, GLY158C, GLY158D, GLY165C, GLY165D, GLY176C, GLY176D, HIS262C, HIS262D, ILE115C, ILE115D, ILE120C, ILE120D, ILE132C, ILE132D, ILE150C, ILE150D, ILE167C, ILE167D, ILE187C, ILE187D, LEU131C, LEU131D, LEU139C, LEU139D, LEU182C, LEU182D, LEU186C, LEU186D, LYS172C, LYS172D, LYS184C, LYS184D, PHE124C, PHE124D, PHE173C, PHE173D, PHE178C, PHE178D, PRO140C, PRO140D, PRO163C, PRO163D, PRO261C, PRO261D, SER109C, SER109D, SER166C, SER166D, SER171C, SER171D, SER181C, SER181D, SER260C, THR117C, THR117D, THR129C, THR129D, THR135C, THR135D, THR164C, THR164D, THR179C, THR179D, THR189C, THR189D, TYR162C, TYR162D, TYR168C, TYR168D, VAL112C, VAL112D, VAL128C, VAL128D, VAL138C, VAL138D, VAL175C, VAL175D