4DA9

crystal structure of putative short-chain dehydrogenase/reductase from sinorhizobium meliloti 1021

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 121
  • Norm. En. per Res.: -3.8424
• 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	0.0	-0.0029	-0.0029	3	0	0	2	0	1	0
A-C	-29.0181	0.0	-293.992	-323.0101	114	10	14	10943	0	2	4
A-D	-4.986	-123.7378	-330.245	-458.9688	122	5	11	13567	8	20	18
B-C	-28.6144	-117.6183	-318.702	-464.9346	121	10	13	13391	7	21	16
B-D	-29.7226	-15.6689	-325.884	-371.2754	118	9	16	12366	0	2	5
C-D	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	0	0

Interface residues

• A-B: GLU157A, GLY255B, ILE254B
• A-C: ALA176A, ALA176C, ALA180A, ALA180C, ALA185A, ALA185C, ALA231A, ALA231C, ALA234A, ALA234C, ALA241A, ALA241C, ALA248A, ALA248C, ALA25A, ALA25C, ALA28A, ARG138C, ARG178A, ARG178C, ARG190A, ARG190C, ARG195A, ARG195C, ARG219A, ARG219C, ASN228A, ASN228C, ASP225A, ASP225C, ASP249A, ASP249C, GLN173A, GLN173C, GLN237A, GLN237C, GLN247A, GLN247C, GLU181A, GLU181C, GLU188A, GLU188C, GLU222A, GLU222C, GLU224A, GLU224C, GLY192A, GLY192C, GLY221A, GLY221C, GLY227A, GLY227C, GLY232A, GLY232C, GLY235A, GLY235C, GLY236A, GLY236C, GLY239A, GLY239C, GLY243A, GLY243C, GLY250A, GLY250C, GLY251A, GLY251C, ILE193A, ILE193C, ILE194A, ILE194C, ILE226A, ILE226C, ILE229A, ILE229C, ILE246A, ILE246C, LEU177A, LEU177C, LEU179A, LEU179C, LEU233A, LEU233C, LEU252A, LEU252C, LEU26A, LEU26C, PHE187A, PHE187C, PHE238A, PHE238C, PHE240A, PHE240C, PHE31A, PRO191A, PRO191C, SER244A, SER244C, SER253A, SER253C, SER29A, SER29C, THR242A, THR242C, TRP220A, TRP220C, VAL149C, VAL186A, VAL186C, VAL189A, VAL189C, VAL230A, VAL230C, VAL245A, VAL245C
• A-D: ALA127A, ALA127D, ALA131A, ALA131D, ALA134A, ALA166A, ALA166D, ALA169A, ALA169D, ALA170A, ALA170D, ALA176A, ALA176D, ARG119A, ARG119D, ARG138A, ARG158D, ARG178A, ARG178D, ASN109A, ASN109D, ASN117A, ASN117D, ASP100A, ASP100D, ASP101A, ASP101D, ASP104A, ASP104D, ASP111A, ASP111D, ASP160A, ASP160D, CYS162A, CYS162D, GLN126A, GLN126D, GLN173A, GLN173D, GLU108A, GLU108D, GLU157A, GLU157D, GLY115A, GLY115D, GLY120A, GLY120D, GLY167A, GLY167D, GLY174A, GLY174D, HIS71A, HIS71D, ILE113A, ILE113D, ILE143A, ILE143D, ILE184D, LEU103A, LEU103D, LEU105A, LEU105D, LEU118A, LEU118D, LEU129A, LEU129D, LEU133A, LEU133D, LEU159A, LEU159D, LEU168A, LEU168D, LEU175A, LEU175D, LEU177A, LEU177D, LEU179A, LEU179D, LEU68A, LEU68D, LYS106A, LYS106D, LYS130A, LYS130D, LYS165A, LYS165D, PHE102A, PHE102D, PHE110A, PHE110D, PHE123A, PHE123D, PHE124A, PHE124D, PHE171A, PHE171D, PRO107A, PRO107D, PRO156D, SER164A, SER164D, SER172A, SER172D, THR112A, THR112D, THR121A, THR121D, THR125A, THR125D, THR182D, TYR161A, TYR161D, VAL114A, VAL114D, VAL116A, VAL116D, VAL122A, VAL122D, VAL128A, VAL128D, VAL186A, VAL186D
• B-C: ALA127B, ALA127C, ALA131B, ALA131C, ALA134B, ALA134C, ALA166B, ALA166C, ALA169B, ALA169C, ALA170B, ALA170C, ALA176B, ALA176C, ARG119B, ARG119C, ARG138B, ARG158B, ARG158C, ARG178B, ARG178C, ASN109B, ASN109C, ASN117B, ASN117C, ASP100B, ASP100C, ASP101B, ASP101C, ASP104B, ASP104C, ASP111B, ASP111C, ASP160B, ASP160C, CYS162B, CYS162C, GLN126B, GLN126C, GLN173B, GLN173C, GLU108B, GLU108C, GLU157B, GLU157C, GLY115B, GLY115C, GLY120B, GLY120C, GLY167B, GLY167C, GLY174B, GLY174C, HIS71B, HIS71C, ILE113B, ILE113C, ILE143B, ILE143C, ILE184B, LEU103B, LEU103C, LEU105B, LEU105C, LEU118B, LEU118C, LEU129B, LEU129C, LEU133B, LEU133C, LEU159B, LEU159C, LEU168B, LEU168C, LEU175B, LEU175C, LEU177B, LEU177C, LEU179B, LEU179C, LEU68B, LEU68C, LYS106B, LYS106C, LYS130B, LYS130C, LYS165B, LYS165C, PHE102B, PHE102C, PHE110B, PHE110C, PHE123B, PHE123C, PHE124B, PHE124C, PHE171B, PHE171C, PRO107B, PRO107C, SER164B, SER164C, SER172B, SER172C, THR112B, THR121B, THR121C, THR125B, THR125C, THR182B, THR182C, TYR161B, TYR161C, VAL114B, VAL114C, VAL116B, VAL116C, VAL122B, VAL122C, VAL128B, VAL128C
• B-D: ALA170B, ALA176B, ALA176D, ALA180B, ALA180D, ALA185B, ALA185D, ALA231B, ALA231D, ALA234B, ALA234D, ALA241B, ALA241D, ALA248B, ALA248D, ALA25B, ALA25D, ALA28D, ARG178B, ARG178D, ARG190B, ARG190D, ARG195D, ARG219D, ARG256B, ASN228B, ASN228D, ASP225B, ASP225D, ASP249B, ASP249D, GLN173B, GLN173D, GLN237B, GLN237D, GLN247B, GLN247D, GLU181B, GLU181D, GLU222B, GLU222D, GLU224B, GLU224D, GLY174B, GLY174D, GLY192B, GLY192D, GLY221B, GLY221D, GLY227B, GLY227D, GLY232B, GLY232D, GLY235B, GLY235D, GLY236B, GLY236D, GLY239B, GLY239D, GLY243B, GLY243D, GLY250B, GLY250D, GLY251B, GLY251D, GLY255B, ILE18B, ILE193B, ILE193D, ILE194D, ILE226B, ILE226D, ILE229B, ILE229D, ILE246B, ILE246D, ILE254B, ILE254D, LEU175B, LEU177B, LEU177D, LEU179B, LEU179D, LEU233B, LEU233D, LEU252B, LEU252D, LEU26B, LEU26D, PHE187B, PHE187D, PHE238B, PHE238D, PHE240B, PHE240D, PRO191B, PRO191D, SER172B, SER172D, SER244B, SER244D, SER253B, SER253D, SER29B, SER29D, THR242B, THR242D, TRP220B, TRP220D, VAL149B, VAL186B, VAL186D, VAL189B, VAL189D, VAL230B, VAL230D, VAL245B, VAL245D
• C-D: GLU157C, ILE254D