3TSC

crystal structure of short chain dehydrogenase map_2410 from mycobacterium paratuberculosis bound to nad

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 138
  • Norm. En. per Res.: -4.2698
• 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	-38.5756	12.1686	-178.953	-205.3599	54	9	2	6264	0	2	4
A-C	-51.2212	34.1592	-487.628	-504.69	166	8	17	19132	0	29	42
A-D	-57.8272	-98.4121	-407.946	-564.1854	140	9	9	16301	9	50	27
B-C	-79.4628	-109.5114	-400.255	-589.2293	138	7	9	16072	9	50	27
B-D	-51.2013	34.3392	-487.719	-504.5811	164	10	17	19180	0	30	42
C-D	-50.7496	12.0141	-178.991	-217.7265	56	10	2	6329	0	2	4

Interface residues

• A-B: ASN223A, ASN223B, ASP236A, ASP236B, GLN164A, GLN164B, GLN225A, GLN225B, GLN268A, GLN268B, GLN272A, GLN272B, GLY269A, GLY269B, HIS175A, HIS175B, HIS228A, HIS228B, LEU226A, LEU226B, LEU230A, LEU230B, LEU234A, LEU234B, LYS162A, LYS162B, MET161A, MET161B, MET163A, MET163B, PHE233A, PHE233B, PRO165A, PRO165B, PRO224A, PRO224B, PRO232A, PRO232B, PRO235A, PRO235B, SER227A, SER227B, SER270A, SER270B, THR231A, THR231B, THR271A, THR271B, TRP237A, TRP237B, TYR273A, TYR273B, VAL229A, VAL229B
• A-C: ALA112A, ALA112C, ALA138A, ALA138C, ALA140A, ALA140C, ALA158A, ALA158C, ALA159A, ALA159C, ALA172A, ALA172C, ALA176A, ALA176C, ALA181A, ALA181C, ALA183A, ALA183C, ALA185A, ALA185C, ALA186A, ALA186C, ALA219A, ALA219C, ALA261A, ALA261C, ARG122A, ARG122C, ARG142A, ARG142C, ARG182A, ARG182C, ARG79A, ARG79C, ARG85C, ASN128C, ASN134A, ASN134C, ASN223A, ASN223C, ASP114A, ASP114C, ASP115A, ASP115C, ASP120A, ASP120C, ASP126A, ASP126C, ASP80C, ASP82A, ASP82C, GLN111A, GLN111C, GLN164A, GLN164C, GLN225A, GLN225C, GLN263A, GLN263C, GLU119A, GLU119C, GLU187A, GLU187C, GLU221A, GLU221C, GLY131A, GLY131C, GLY139A, GLY139C, GLY160A, GLY160C, GLY179A, GLY179C, GLY189A, GLY189C, HIS169A, HIS169C, HIS175A, HIS175C, HIS191A, HIS191C, ILE116A, ILE116C, ILE143A, ILE143C, ILE144A, ILE144C, ILE152C, ILE168A, ILE168C, ILE193A, ILE193C, LEU154A, LEU154C, LEU180A, LEU180C, LEU188A, LEU188C, LEU226A, LEU226C, LYS162A, LYS162C, LYS174A, LYS174C, LYS190A, LYS190C, MET125A, MET125C, MET137A, MET137C, MET161A, MET161C, MET163A, MET163C, MET167A, MET167C, MET220A, MET220C, PHE121A, PHE121C, PHE166A, PHE166C, PHE184A, PHE184C, PHE81A, PHE81C, PRO118A, PRO118C, PRO141A, PRO141C, PRO165A, PRO165C, PRO224A, PRO224C, SER173A, SER173C, THR117A, THR117C, THR130A, THR130C, THR132A, THR132C, THR171A, THR171C, THR178A, THR178C, THR222A, THR222C, THR271A, THR271C, TRP113A, TRP113C, TRP133A, TRP133C, TYR170A, TYR170C, VAL129A, VAL129C, VAL136A, VAL136C, VAL177A, VAL177C, VAL195A, VAL195C, VAL229A, VAL229C
• A-D: ALA181A, ALA181D, ALA183A, ALA183D, ALA185A, ALA185D, ALA186A, ALA186D, ALA239A, ALA239D, ALA245A, ALA245D, ALA261A, ALA261D, ALA262A, ALA262D, ARG182A, ARG182D, ARG194A, ARG194D, ARG257A, ARG257D, ARG26A, ARG26D, ASN196A, ASN196D, ASN204A, ASP236A, ASP236D, ASP243A, ASP243D, ASP246A, ASP246D, ASP254A, ASP254D, ASP267A, ASP267D, CYS249A, CYS249D, GLN263A, GLN263D, GLN268A, GLN268D, GLN272A, GLN272D, GLU187A, GLU187D, GLU240A, GLU240D, GLU242A, GLU242D, GLU255A, GLU255D, GLU30A, GLU30D, GLY149A, GLY149D, GLY150A, GLY150D, GLY189A, GLY189D, GLY201A, GLY201D, GLY269A, GLY269D, HIS191A, HIS191D, HIS199A, ILE193A, ILE193D, ILE244A, ILE244D, ILE264A, ILE264D, LEU188A, LEU188D, LEU234A, LEU234D, LEU251A, LEU251D, LYS190A, LYS190D, LYS258A, LYS258D, MET161A, MET161D, PHE184A, PHE184D, PHE233A, PHE233D, PRO200A, PRO200D, PRO202A, PRO202D, PRO232A, PRO232D, PRO235A, PRO235D, PRO241A, PRO241D, PRO265A, PRO265D, SER151A, SER151D, SER192A, SER192D, SER253A, SER253D, SER256A, SER256D, SER270A, SER270D, THR178A, THR178D, THR247A, THR247D, THR260A, THR260D, THR271A, THR271D, TRP237A, TRP237D, TRP250A, TRP250D, TYR273A, TYR273D, VAL195A, VAL195D, VAL198A, VAL198D, VAL203A, VAL203D, VAL238A, VAL238D, VAL248A, VAL248D, VAL259A, VAL259D, VAL266A, VAL266D
• B-C: ALA181B, ALA181C, ALA183B, ALA183C, ALA185B, ALA185C, ALA186B, ALA186C, ALA239B, ALA239C, ALA245B, ALA245C, ALA261B, ALA261C, ALA262B, ALA262C, ARG182B, ARG182C, ARG194B, ARG194C, ARG257B, ARG257C, ARG26B, ARG26C, ASN196B, ASN196C, ASP236B, ASP236C, ASP243B, ASP243C, ASP246B, ASP246C, ASP254B, ASP254C, ASP267B, ASP267C, CYS249B, CYS249C, GLN263B, GLN263C, GLN268B, GLN268C, GLN272B, GLN272C, GLU187B, GLU187C, GLU240B, GLU240C, GLU242B, GLU242C, GLU255B, GLU255C, GLU30B, GLU30C, GLY149B, GLY149C, GLY150B, GLY150C, GLY189B, GLY189C, GLY201B, GLY201C, GLY269B, GLY269C, HIS191B, HIS191C, HIS199C, ILE193B, ILE193C, ILE244B, ILE244C, ILE264B, ILE264C, LEU188B, LEU188C, LEU234B, LEU234C, LEU251B, LEU251C, LYS190B, LYS190C, LYS258B, LYS258C, MET161B, MET161C, PHE184B, PHE184C, PHE233B, PHE233C, PRO200B, PRO200C, PRO202B, PRO202C, PRO232B, PRO232C, PRO235B, PRO235C, PRO241B, PRO241C, PRO265B, PRO265C, SER151B, SER192B, SER192C, SER253B, SER253C, SER256B, SER256C, SER270B, SER270C, THR178B, THR178C, THR247B, THR247C, THR260B, THR260C, THR271B, THR271C, TRP237B, TRP237C, TRP250B, TRP250C, TYR273B, TYR273C, VAL195B, VAL195C, VAL198B, VAL198C, VAL203B, VAL203C, VAL238B, VAL238C, VAL248B, VAL248C, VAL259B, VAL259C, VAL266B, VAL266C
• B-D: ALA112B, ALA112D, ALA138B, ALA138D, ALA140B, ALA140D, ALA158B, ALA158D, ALA159B, ALA159D, ALA172B, ALA172D, ALA176B, ALA176D, ALA181B, ALA181D, ALA183B, ALA183D, ALA185B, ALA185D, ALA186B, ALA186D, ALA219B, ALA219D, ALA261B, ALA261D, ARG122B, ARG122D, ARG142B, ARG142D, ARG182B, ARG182D, ARG79B, ARG79D, ARG85B, ASN128B, ASN128D, ASN134B, ASN134D, ASN223B, ASN223D, ASP114B, ASP114D, ASP115B, ASP115D, ASP120B, ASP120D, ASP126B, ASP126D, ASP82B, ASP82D, GLN111B, GLN111D, GLN164B, GLN164D, GLN225B, GLN225D, GLN263B, GLN263D, GLU119B, GLU119D, GLU187B, GLU187D, GLU221B, GLU221D, GLY131B, GLY131D, GLY139B, GLY139D, GLY160B, GLY160D, GLY179B, GLY179D, GLY189B, GLY189D, HIS169B, HIS169D, HIS175B, HIS175D, HIS191B, HIS191D, ILE116B, ILE116D, ILE143B, ILE143D, ILE144B, ILE144D, ILE168B, ILE168D, ILE193B, ILE193D, LEU154B, LEU154D, LEU180B, LEU180D, LEU188B, LEU188D, LEU226B, LEU226D, LYS162B, LYS162D, LYS174B, LYS174D, LYS190B, LYS190D, MET125B, MET125D, MET137B, MET137D, MET161B, MET161D, MET163B, MET163D, MET167B, MET167D, MET220B, PHE121B, PHE121D, PHE166B, PHE166D, PHE184B, PHE184D, PHE81B, PHE81D, PRO118B, PRO118D, PRO141B, PRO141D, PRO165B, PRO165D, PRO224B, PRO224D, SER173B, SER173D, THR117B, THR117D, THR130B, THR130D, THR132B, THR132D, THR171B, THR171D, THR178B, THR178D, THR222B, THR222D, THR271B, THR271D, TRP113B, TRP113D, TRP133B, TRP133D, TYR170B, TYR170D, VAL129B, VAL129D, VAL136B, VAL136D, VAL177B, VAL177D, VAL195B, VAL195D, VAL229B, VAL229D
• C-D: ASN223C, ASN223D, ASP236C, ASP236D, GLN164C, GLN164D, GLN225C, GLN225D, GLN268C, GLN268D, GLN272C, GLN272D, GLY269C, GLY269D, HIS175C, HIS175D, HIS228C, HIS228D, LEU226C, LEU226D, LEU230C, LEU230D, LEU234C, LEU234D, LYS162C, LYS162D, MET161C, MET161D, MET163C, MET163D, MET220D, PHE233C, PHE233D, PRO165C, PRO165D, PRO224C, PRO224D, PRO232C, PRO232D, PRO235C, PRO235D, SER227C, SER227D, SER270C, SER270D, THR171D, THR231C, THR231D, THR271C, THR271D, TRP237C, TRP237D, TYR273C, TYR273D, VAL229C, VAL229D