3RIH

crystal structure of a putative short chain dehydrogenase or reductase from mycobacterium abscessus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 140
  • Norm. En. per Res.: -4.288
• 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	-72.6084	-4.6004	-467.478	-544.6867	135	18	21	18356	0	14	21
A-C	-53.4437	-14.4757	-513.158	-581.0774	183	9	14	20193	0	19	17
A-D	-66.1613	5.1292	-196.794	-257.8261	76	9	2	6631	0	8	9
B-C	-42.0316	5.1344	-180.162	-217.0593	75	7	2	6487	0	8	9
B-D	-47.6521	-14.0962	-514.907	-576.6554	185	8	15	20241	0	20	19
C-D	-75.7835	-44.2391	-480.303	-600.3255	140	15	19	18459	2	14	21

Interface residues

• A-B: ALA111A, ALA111B, ALA138A, ALA138B, ALA172A, ALA172B, ALA175A, ALA175B, ALA176A, ALA176B, ALA184A, ALA184B, ALA185A, ALA185B, ALA189A, ALA189B, ARG112A, ARG112B, ARG182A, ARG182B, ARG191A, ARG191B, ASP114A, ASP114B, ASP126A, ASP126B, ASP80A, ASP80B, GLN120A, GLN120B, GLN137A, GLN137B, GLN177A, GLN177B, GLU119A, GLU119B, GLU123A, GLU123B, GLU187A, GLU187B, GLY131A, GLY131B, GLY159A, GLY159B, GLY163A, GLY163B, GLY166A, GLY166B, GLY171A, GLY171B, GLY179A, GLY179B, GLY82A, GLY82B, HIS169A, HIS169B, ILE157A, ILE157B, ILE186A, ILE186B, LEU113A, LEU113B, LEU121A, LEU121B, LEU125A, LEU125B, LEU140A, LEU140B, LEU178A, LEU178B, LEU188A, LEU188B, LYS130A, LYS130B, LYS174A, LYS174B, MET116A, MET116B, MET181A, MET181B, PHE180A, PHE180B, PRO118A, PRO118B, PRO160A, PRO160B, PRO165A, PRO165B, PRO190A, PRO190B, PRO81A, PRO81B, SER122A, SER122B, SER168A, SER168B, SER173A, SER173B, SER79A, SER79B, THR115A, THR115B, THR117A, THR117B, THR132A, THR132B, THR144A, THR158A, THR158B, THR162A, THR162B, THR183A, THR183B, TRP167A, TRP167B, TYR134A, TYR134B, TYR164A, TYR164B, TYR170A, TYR170B, VAL124A, VAL124B, VAL129A, VAL129B, VAL133A, VAL133B, VAL136A, VAL136B, VAL151A, VAL151B, VAL161A, VAL161B, VAL195A, VAL195B
• A-C: ALA184A, ALA184C, ALA185A, ALA185C, ALA189A, ALA189C, ALA220A, ALA220C, ALA238A, ALA238C, ALA239A, ALA239C, ALA242A, ALA242C, ALA246A, ALA246C, ALA253A, ALA253C, ALA268A, ALA268C, ALA40A, ALA40C, ALA42A, ALA42C, ALA44A, ALA44C, ARG148A, ARG148C, ARG150A, ARG150C, ARG182A, ARG182C, ARG191A, ARG191C, ARG41A, ARG41C, ASN196A, ASN196C, ASN202A, ASN202C, ASN270A, ASN270C, ASP16A, ASP16C, ASP233A, ASP233C, ASP244A, ASP244C, ASP257A, ASP257C, ASP267A, ASP267C, GLN252A, GLN252C, GLN260A, GLN260C, GLU187A, GLU187C, GLU245A, GLU245C, GLU264A, GLU264C, GLY147A, GLY147C, GLY149A, GLY149C, GLY192A, GLY192C, GLY201A, GLY201C, GLY226A, GLY226C, GLY229A, GLY229C, GLY235A, GLY235C, GLY247A, GLY247C, GLY251A, GLY251C, GLY258A, GLY258C, GLY259A, GLY259C, GLY43A, GLY43C, HIS236A, HIS236C, ILE157A, ILE157C, ILE186A, ILE186C, ILE198A, ILE198C, ILE203A, ILE203C, ILE223A, ILE223C, ILE234A, ILE234C, ILE249A, ILE249C, ILE254A, ILE254C, LEU178A, LEU178C, LEU17A, LEU17C, LEU188A, LEU188C, LEU199A, LEU199C, LEU204A, LEU204C, LEU228A, LEU228C, LEU237A, LEU237C, LEU241A, LEU241C, LEU262A, LEU262C, LYS12A, MET14A, MET14C, MET181A, MET181C, MET225A, MET225C, MET227A, MET227C, PHE15A, PHE15C, PHE240A, PHE240C, PHE39A, PHE39C, PRO190A, PRO190C, PRO200A, PRO200C, PRO224A, PRO224C, PRO263A, PRO263C, PRO271A, PRO271C, SER230A, SER230C, SER265A, SER265C, THR183A, THR183C, THR194A, THR194C, THR243A, THR243C, THR250A, THR250C, THR37A, THR37C, TYR248A, TYR248C, VAL13A, VAL13C, VAL161A, VAL161C, VAL193A, VAL193C, VAL195A, VAL195C, VAL232A, VAL232C, VAL255A, VAL255C, VAL256A, VAL256C, VAL261A, VAL261C, VAL269A, VAL269C, VAL38A, VAL38C
• A-D: ALA268A, ALA268D, ARG112A, ARG112D, ARG221A, ARG221D, ASN202A, ASN202D, ASN270A, ASN270D, ASP114A, ASP257A, ASP257D, ASP267A, ASP267D, GLN260A, GLN260D, GLU264A, GLU264D, GLY159A, GLY159D, GLY163A, GLY163D, GLY166A, GLY166D, GLY201A, GLY201D, GLY218A, GLY218D, GLY259A, ILE157A, ILE157D, ILE223A, ILE223D, LEU113A, LEU113D, LEU262A, LEU262D, MET219A, MET219D, PRO165A, PRO165D, PRO200A, PRO200D, PRO224A, PRO224D, PRO263A, PRO263D, PRO266A, PRO266D, PRO271A, PRO271D, SER156A, SER156D, SER222A, SER222D, SER265A, SER265D, THR158A, THR158D, THR162A, THR162D, TRP167A, TRP167D, TYR164A, TYR164D, TYR170A, TYR170D, TYR215A, TYR215D, VAL161A, VAL161D, VAL261A, VAL261D, VAL269A, VAL269D
• B-C: ALA268B, ALA268C, ARG112B, ARG112C, ARG221B, ARG221C, ASN202B, ASN202C, ASN270B, ASN270C, ASP257B, ASP257C, ASP267B, ASP267C, GLN260B, GLN260C, GLU264B, GLU264C, GLY159B, GLY159C, GLY163B, GLY163C, GLY166B, GLY166C, GLY201B, GLY201C, GLY218B, GLY218C, GLY259B, ILE157B, ILE157C, ILE223B, ILE223C, LEU113B, LEU113C, LEU262B, LEU262C, MET219B, MET219C, PRO165B, PRO165C, PRO200B, PRO200C, PRO224B, PRO224C, PRO263B, PRO263C, PRO266B, PRO266C, PRO271B, PRO271C, SER156B, SER156C, SER222B, SER222C, SER265B, SER265C, THR158B, THR158C, THR162B, THR162C, TRP167B, TRP167C, TYR164B, TYR164C, TYR170B, TYR170C, TYR215B, TYR215C, VAL161B, VAL161C, VAL261B, VAL261C, VAL269B, VAL269C
• B-D: ALA184B, ALA184D, ALA185B, ALA185D, ALA189B, ALA189D, ALA220B, ALA220D, ALA238B, ALA238D, ALA239B, ALA239D, ALA242B, ALA242D, ALA246B, ALA246D, ALA253B, ALA253D, ALA268B, ALA268D, ALA40B, ALA40D, ALA42B, ALA42D, ALA44B, ALA44D, ARG148B, ARG148D, ARG150B, ARG150D, ARG182B, ARG182D, ARG191B, ARG191D, ARG41B, ARG41D, ASN196B, ASN196D, ASN202B, ASN202D, ASN270B, ASN270D, ASP16B, ASP16D, ASP233B, ASP233D, ASP244B, ASP244D, ASP257B, ASP257D, ASP267B, ASP267D, GLN252B, GLN252D, GLN260B, GLN260D, GLU187B, GLU187D, GLU245B, GLU245D, GLU264B, GLU264D, GLY147B, GLY147D, GLY149B, GLY149D, GLY192B, GLY192D, GLY201B, GLY201D, GLY226B, GLY226D, GLY229B, GLY229D, GLY235B, GLY235D, GLY247B, GLY247D, GLY251B, GLY251D, GLY258B, GLY258D, GLY259B, GLY259D, GLY43B, GLY43D, HIS236B, HIS236D, ILE157B, ILE157D, ILE186B, ILE186D, ILE198B, ILE198D, ILE203B, ILE203D, ILE223B, ILE223D, ILE234B, ILE234D, ILE249B, ILE249D, ILE254B, ILE254D, LEU178B, LEU178D, LEU17B, LEU17D, LEU188B, LEU188D, LEU199B, LEU199D, LEU204B, LEU204D, LEU228B, LEU228D, LEU237B, LEU237D, LEU241B, LEU241D, LEU262B, LEU262D, LYS12B, LYS12D, MET14B, MET14D, MET181B, MET181D, MET225B, MET225D, MET227B, MET227D, PHE15B, PHE15D, PHE240B, PHE240D, PHE39B, PHE39D, PRO190B, PRO190D, PRO200B, PRO200D, PRO224B, PRO224D, PRO263B, PRO263D, PRO271B, PRO271D, SER222D, SER230B, SER230D, SER265B, SER265D, THR183B, THR183D, THR194B, THR194D, THR243B, THR243D, THR250B, THR250D, THR37B, THR37D, TYR248B, TYR248D, VAL13B, VAL13D, VAL161B, VAL161D, VAL193B, VAL193D, VAL195B, VAL195D, VAL232B, VAL232D, VAL255B, VAL255D, VAL256B, VAL256D, VAL261B, VAL261D, VAL269B, VAL269D, VAL38B, VAL38D
• C-D: ALA111C, ALA111D, ALA138C, ALA138D, ALA141D, ALA172C, ALA172D, ALA175C, ALA175D, ALA176C, ALA176D, ALA184C, ALA184D, ALA185C, ALA185D, ALA189C, ALA189D, ARG112C, ARG112D, ARG182C, ARG182D, ARG191C, ARG191D, ASP114C, ASP114D, ASP126C, ASP126D, ASP80C, ASP80D, GLN120C, GLN120D, GLN137C, GLN137D, GLN177C, GLN177D, GLU110C, GLU110D, GLU119C, GLU119D, GLU123C, GLU123D, GLU187C, GLU187D, GLY131C, GLY131D, GLY159C, GLY159D, GLY163C, GLY163D, GLY166C, GLY166D, GLY171C, GLY171D, GLY179C, GLY179D, GLY82C, GLY82D, HIS169C, HIS169D, ILE157C, ILE157D, ILE186C, ILE186D, LEU113C, LEU113D, LEU121C, LEU121D, LEU125C, LEU125D, LEU140C, LEU140D, LEU178C, LEU178D, LEU188C, LEU188D, LYS130C, LYS130D, LYS174C, LYS174D, MET116C, MET116D, MET181C, MET181D, PHE180C, PHE180D, PRO118C, PRO118D, PRO160C, PRO160D, PRO165C, PRO165D, PRO190C, PRO190D, PRO81C, PRO81D, SER122C, SER122D, SER168C, SER168D, SER173C, SER173D, SER79C, SER79D, THR115C, THR115D, THR117C, THR117D, THR132C, THR132D, THR144D, THR158C, THR158D, THR162C, THR162D, THR183C, THR183D, TRP167C, TRP167D, TYR134C, TYR134D, TYR164C, TYR164D, TYR170C, TYR170D, VAL124C, VAL124D, VAL129C, VAL129D, VAL133C, VAL133D, VAL136C, VAL136D, VAL151C, VAL151D, VAL161C, VAL161D, VAL193C, VAL193D, VAL195C, VAL195D