3LQF

crystal structure of the short-chain dehydrogenase galactitol- dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with nad and erythritol

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 156
  • Norm. En. per Res.: -3.9841
• 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	-26.6978	0.0	-132.293	-158.9908	45	11	4	4140	3	2	6
A-C	-47.5919	0.0	-569.061	-616.6529	186	17	36	21324	0	14	16
A-D	-38.3083	-47.6862	-520.691	-606.6855	157	11	17	18470	4	36	34
B-C	-52.7451	-59.4158	-509.359	-621.5199	156	11	17	18353	6	36	36
B-D	-66.0797	27.5876	-573.147	-611.6391	186	18	34	21301	0	15	17
C-D	-30.5946	0.0	-130.255	-160.8496	45	10	4	4105	0	2	6

Interface residues

• A-B: ARG152A, ARG152B, ASN151A, ASN151B, ASP212A, ASP212B, GLN154B, GLY250A, GLY250B, ILE149A, ILE149B, LEU211A, LEU211B, MET145A, MET145B, MET160A, MET160B, MET213A, MET213B, PHE155A, PHE155B, PRO153A, PRO153B, PRO215A, PRO215B, SER146A, SER146B, THR148A, THR148B, THR209A, THR209B, THR214A, THR214B, THR252A, THR252B, TRP210A, TRP210B, TRP254A, TRP254B, TYR251A, TYR251B, VAL150A, VAL150B, VAL253A, VAL253B
• A-C: ALA172A, ALA172C, ALA174A, ALA174C, ALA175A, ALA175C, ALA178A, ALA178C, ALA186A, ALA186C, ALA188A, ALA188C, ALA193A, ALA193C, ALA226A, ALA226C, ALA227A, ALA227C, ALA228A, ALA228C, ALA229A, ALA229C, ALA233A, ALA233C, ALA236A, ALA236C, ALA237A, ALA237C, ALA243A, ALA243C, ALA246A, ALA246C, ALA30A, ALA30C, ALA32A, ALA32C, ALA33A, ALA33C, ARG171A, ARG171C, ARG180A, ARG180C, ARG183A, ARG183C, ARG218A, ARG218C, ARG29A, ARG29C, ARG4A, ARG4C, ARG8A, ARG8C, ASN185A, ASN185C, ASP10A, ASP10C, ASP248A, ASP248C, ASP2A, ASP2C, CYS219A, CYS219C, CYS28A, CYS28C, GLN168A, GLN168C, GLU176A, GLU176C, GLU221A, GLU221C, GLU224A, GLU224C, GLU26A, GLU26C, GLY179A, GLY179C, GLY181A, GLY181C, GLY190A, GLY190C, GLY217A, GLY217C, GLY220A, GLY220C, GLY242A, GLY242C, GLY249A, GLY249C, GLY250A, GLY250C, GLY35A, GLY35C, HIS167A, HIS167C, ILE149A, ILE149C, ILE225A, ILE225C, ILE23C, ILE244A, ILE244C, ILE27A, ILE27C, LEU173A, LEU173C, LEU187A, LEU187C, LEU211A, LEU211C, LEU230A, LEU230C, LEU232A, LEU232C, LEU245A, LEU245C, LEU25C, LEU9A, LEU9C, MET145A, MET145C, MET1A, MET1C, MET216A, MET216C, PHE231A, PHE231C, PHE31A, PHE31C, PHE7A, PHE7C, PRO189A, PRO189C, PRO215A, PRO215C, PRO222A, PRO222C, PRO235A, PRO235C, SER223A, SER223C, SER234A, SER234C, SER238A, SER238C, SER34A, SER34C, THR148A, THR148C, THR170A, THR170C, THR214A, THR214C, THR241A, THR241C, THR252A, THR252C, THR5A, THR5C, TRP177A, TRP177C, TRP210A, TRP210C, TRP254A, TRP254C, TYR191A, TYR191C, TYR239A, TYR239C, TYR251A, TYR251C, TYR3A, TYR3C, VAL182A, VAL182C, VAL184A, VAL184C, VAL192A, VAL192C, VAL240A, VAL240C, VAL247A, VAL247C, VAL253A, VAL253C, VAL6A, VAL6C
• A-D: ALA101A, ALA101D, ALA107A, ALA107D, ALA114A, ALA114D, ALA126A, ALA126D, ALA130A, ALA130D, ALA133A, ALA133D, ALA156A, ALA156D, ALA161A, ALA161D, ALA165A, ALA165D, ALA172A, ALA172D, ALA174A, ALA174D, ALA175A, ALA175D, ALA178A, ALA178D, ALA70A, ALA70D, ARG110A, ARG110D, ARG125A, ARG125D, ARG129A, ARG129D, ARG152A, ARG152D, ARG171A, ARG171D, ARG180A, ARG180D, ASN116A, ASN116D, ASN151A, ASN151D, ASP100A, ASP100D, ASP105A, ASP105D, ASP106A, ASP106D, ASP118A, ASP118D, ASP69A, ASP69D, GLN111A, GLN111D, GLN154A, GLN154D, GLN168A, GLN168D, GLU103A, GLU103D, GLU176A, GLU176D, GLU71A, GLU71D, GLY119A, GLY119D, GLY128A, GLY128D, GLY147A, GLY147D, GLY164A, GLY164D, GLY179A, GLY179D, GLY242A, GLY242D, HIS167A, HIS167D, HIS99A, HIS99D, ILE139A, ILE139D, ILE149A, ILE149D, LEU102A, LEU102D, LEU169A, LEU169D, LEU173A, LEU173D, LYS163A, LYS163D, MET113A, MET113D, MET120A, MET120D, MET131A, MET131D, MET145A, MET145D, MET160A, MET160D, PHE121A, PHE121D, PHE127A, PHE127D, PHE155A, PHE155D, PRO153A, PRO153D, SER124A, SER124D, SER144A, SER144D, SER146A, SER146D, SER157A, SER157D, SER158A, SER158D, SER162A, SER162D, THR104A, THR104D, THR108A, THR108D, THR148A, THR148D, THR170A, THR170D, THR252A, THR252D, THR68A, THR68D, THR74A, THR74D, TRP109A, TRP109D, TRP122A, TRP122D, TRP177A, TRP177D, TYR159A, TYR159D, VAL117A, VAL117D, VAL132A, VAL132D, VAL150A, VAL150D, VAL166A, VAL166D, VAL182A, VAL182D, VAL67A
• B-C: ALA101B, ALA101C, ALA107B, ALA107C, ALA114B, ALA114C, ALA126B, ALA126C, ALA130B, ALA130C, ALA133B, ALA133C, ALA156B, ALA156C, ALA161B, ALA161C, ALA165B, ALA165C, ALA172B, ALA172C, ALA174B, ALA174C, ALA175B, ALA175C, ALA178B, ALA178C, ALA70B, ALA70C, ARG110B, ARG110C, ARG125B, ARG125C, ARG129B, ARG129C, ARG152B, ARG152C, ARG171B, ARG171C, ARG180B, ARG180C, ASN116B, ASN116C, ASN151B, ASN151C, ASP100B, ASP100C, ASP105B, ASP105C, ASP106B, ASP106C, ASP118B, ASP118C, ASP69B, ASP69C, GLN111B, GLN111C, GLN154B, GLN154C, GLN168B, GLN168C, GLU103B, GLU103C, GLU176B, GLU176C, GLU71B, GLU71C, GLY119B, GLY119C, GLY128B, GLY128C, GLY147B, GLY147C, GLY164B, GLY164C, GLY179B, GLY179C, GLY242B, GLY242C, HIS167B, HIS167C, HIS99B, HIS99C, ILE139B, ILE139C, ILE149B, ILE149C, LEU102B, LEU102C, LEU169B, LEU169C, LEU173B, LEU173C, LYS163B, LYS163C, MET113B, MET113C, MET120B, MET120C, MET131B, MET131C, MET145B, MET145C, MET160B, MET160C, PHE121B, PHE121C, PHE127B, PHE127C, PHE155B, PHE155C, PRO153B, PRO153C, SER124B, SER124C, SER144B, SER144C, SER146B, SER146C, SER157B, SER157C, SER158B, SER158C, SER162B, SER162C, THR104B, THR104C, THR108B, THR108C, THR148B, THR148C, THR170B, THR170C, THR252B, THR252C, THR68B, THR68C, THR74B, THR74C, TRP109B, TRP109C, TRP122B, TRP122C, TRP177B, TRP177C, TYR159B, TYR159C, VAL117B, VAL117C, VAL132B, VAL132C, VAL150B, VAL150C, VAL166B, VAL166C, VAL182B, VAL182C
• B-D: ALA172B, ALA172D, ALA174B, ALA174D, ALA175B, ALA175D, ALA178B, ALA178D, ALA186B, ALA186D, ALA188B, ALA188D, ALA193B, ALA193D, ALA226B, ALA226D, ALA227B, ALA227D, ALA228B, ALA228D, ALA229B, ALA229D, ALA233B, ALA233D, ALA236B, ALA236D, ALA237B, ALA237D, ALA243B, ALA243D, ALA246B, ALA246D, ALA30B, ALA30D, ALA32B, ALA32D, ALA33B, ALA33D, ARG171B, ARG171D, ARG180B, ARG180D, ARG183B, ARG183D, ARG218B, ARG218D, ARG29B, ARG29D, ARG4B, ARG4D, ARG8B, ARG8D, ASN185B, ASN185D, ASP10D, ASP248B, ASP248D, ASP2B, ASP2D, CYS219B, CYS219D, CYS28B, CYS28D, GLN168B, GLN168D, GLU176B, GLU176D, GLU221B, GLU221D, GLU224B, GLU224D, GLU26B, GLU26D, GLY179B, GLY179D, GLY181B, GLY181D, GLY190B, GLY190D, GLY217B, GLY217D, GLY220B, GLY220D, GLY242B, GLY242D, GLY249B, GLY249D, GLY250B, GLY250D, GLY35B, GLY35D, HIS167B, HIS167D, ILE149B, ILE149D, ILE225B, ILE225D, ILE23B, ILE244B, ILE244D, ILE27B, ILE27D, LEU173B, LEU173D, LEU187B, LEU187D, LEU211B, LEU211D, LEU230B, LEU230D, LEU232B, LEU232D, LEU245B, LEU245D, LEU25B, LEU25D, LEU9B, LEU9D, MET145B, MET145D, MET1B, MET1D, MET216B, MET216D, PHE231B, PHE231D, PHE31B, PHE31D, PHE7B, PHE7D, PRO189B, PRO189D, PRO215B, PRO215D, PRO222B, PRO222D, PRO235B, PRO235D, SER223B, SER223D, SER234B, SER234D, SER238B, SER238D, SER34B, SER34D, THR148B, THR148D, THR170B, THR170D, THR214B, THR214D, THR241B, THR241D, THR252B, THR252D, THR5B, THR5D, TRP177B, TRP177D, TRP210B, TRP210D, TRP254B, TRP254D, TYR191B, TYR191D, TYR239B, TYR239D, TYR251B, TYR251D, TYR3B, TYR3D, VAL182B, VAL182D, VAL184B, VAL184D, VAL192B, VAL192D, VAL240B, VAL240D, VAL247B, VAL247D, VAL253B, VAL253D, VAL6B, VAL6D
• C-D: ARG152C, ARG152D, ASN151C, ASN151D, ASP212C, ASP212D, GLN154D, GLY250C, GLY250D, ILE149C, ILE149D, LEU211C, LEU211D, MET145C, MET145D, MET160C, MET160D, MET213C, MET213D, PHE155C, PHE155D, PRO153C, PRO153D, PRO215C, PRO215D, SER146C, SER146D, THR148C, THR148D, THR209C, THR209D, THR214C, THR214D, THR252C, THR252D, TRP210C, TRP210D, TRP254C, TRP254D, TYR251C, TYR251D, VAL150C, VAL150D, VAL253C, VAL253D