3GEM

crystal structure of short-chain dehydrogenase from pseudomonas syringae

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 121
  • Norm. En. per Res.: -3.2985
• 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	-42.3276	29.1964	-385.984	-399.1153	121	15	20	14499	4	20	20
A-C	-14.5093	3.0513	-25.8256	-37.2836	21	3	0	1142	0	4	29
A-D	-32.8594	0.0	-296.229	-329.0884	117	8	20	12839	0	6	14
B-C	-44.6817	0.0	-347.307	-391.9887	126	6	25	14445	0	6	14
B-D	-22.5076	2.231	-24.2822	-44.5588	20	2	0	1135	0	4	27
C-D	-44.5625	28.2758	-387.63	-403.9167	124	11	20	14449	2	19	20

Interface residues

• A-B: ALA110A, ALA110B, ALA147A, ALA147B, ALA150A, ALA150B, ALA153A, ALA153B, ALA163A, ALA163B, ALA164A, ALA164B, ALA167A, ALA167B, ALA90A, ALA90B, ALA97A, ALA97B, ARG102A, ARG102B, ARG139A, ARG139B, ARG165A, ARG165B, ASN115A, ASN115B, ASN99A, ASN99B, ASP98A, ASP98B, CYS149A, CYS149B, CYS60A, CYS60B, GLU156A, GLU156B, GLU61A, GLU61B, GLU91A, GLU91B, GLU95A, GLU95B, GLU96A, GLU96B, GLY141A, GLY141B, GLY154A, GLY154B, GLY94A, GLY94B, HIS107A, HIS107B, HIS117A, HIS117B, HIS132A, HIS132B, HIS145A, HIS145B, ILE146A, ILE146B, ILE64A, ILE64B, LEU109A, LEU109B, LEU113A, LEU113B, LEU116A, LEU116B, LEU155A, LEU155B, LEU158A, LEU158B, LEU160A, LEU160B, LYS140A, LYS140B, LYS144A, LYS144B, LYS152A, LYS152B, PHE100A, PHE100B, PHE104A, PHE104B, PHE162A, PHE162B, PHE166A, PHE166B, PRO111A, PRO111B, PRO93A, PRO93B, SER105A, SER105B, SER142A, SER142B, SER143A, SER143B, SER157A, SER157B, SER161A, SER161B, THR101A, THR101B, THR138A, THR138B, THR151A, THR151B, THR159A, THR159B, THR62A, THR62B, THR92A, THR92B, TYR112A, TYR112B, TYR148A, TYR148B, VAL137A, VAL137B, VAL172B
• A-C: ARG139A, ARG139C, ARG233A, ARG233C, GLY141A, GLY141C, GLY232A, GLY232C, HIS234A, HIS234C, LYS140A, LYS140C, LYS197C, LYS236A, LYS236C, SER142A, SER142C, SER143A, SER143C, VAL235A, VAL235C
• A-D: ALA128D, ALA163A, ALA163D, ALA164A, ALA164D, ALA167A, ALA167D, ALA176A, ALA176D, ALA178A, ALA178D, ALA199A, ARG139D, ARG165A, ARG165D, ARG214A, ARG214D, ARG233A, ARG233D, ASN173A, ASN173D, ASN230A, ASN230D, ASP136A, ASP136D, ASP218A, ASP218D, GLN183D, GLN211A, GLN211D, GLU203A, GLU207A, GLU207D, GLY201A, GLY205A, GLY205D, GLY224A, GLY224D, GLY231A, GLY231D, GLY232A, GLY232D, HIS234A, HIS234D, ILE175A, ILE175D, ILE202A, ILE209A, ILE209D, LEU160A, LEU160D, LEU169A, LEU169D, LEU179A, LEU179D, LEU180A, LEU200A, LEU213A, LEU213D, LEU216A, LEU216D, LEU217D, LEU227A, LEU227D, LYS171A, LYS171D, LYS236A, LYS236D, PHE162A, PHE162D, PHE166A, PHE166D, PHE182A, PRO168A, PRO168D, PRO177A, PRO177D, PRO204A, PRO204D, SER157A, SER161A, SER161D, SER198A, SER212A, SER212D, SER219A, SER219D, THR159A, THR159D, THR220A, THR220D, THR223A, THR223D, THR225A, THR225D, THR226A, THR226D, THR228A, THR228D, TYR210A, TYR210D, TYR215A, TYR215D, TYR221A, TYR221D, VAL170A, VAL170D, VAL172A, VAL172D, VAL208A, VAL208D, VAL222A, VAL222D, VAL229A, VAL229D, VAL235A, VAL235D
• B-C: ALA128B, ALA128C, ALA163B, ALA163C, ALA164B, ALA164C, ALA167B, ALA167C, ALA176B, ALA176C, ALA178B, ALA178C, ALA194C, ALA199B, ALA199C, ARG139B, ARG139C, ARG165B, ARG165C, ARG191C, ARG214B, ARG214C, ARG233B, ARG233C, ASN173B, ASN173C, ASN230B, ASN230C, ASP136B, ASP136C, ASP218B, ASP218C, GLN211B, GLN211C, GLU203B, GLU203C, GLU207B, GLU207C, GLY201B, GLY201C, GLY205B, GLY205C, GLY224B, GLY224C, GLY231B, GLY231C, GLY232B, GLY232C, HIS234B, HIS234C, ILE175B, ILE175C, ILE202B, ILE202C, ILE209B, ILE209C, LEU160B, LEU160C, LEU169B, LEU169C, LEU179B, LEU179C, LEU180B, LEU195B, LEU195C, LEU200B, LEU200C, LEU213B, LEU213C, LEU216B, LEU216C, LEU227B, LEU227C, LYS171B, LYS171C, LYS197B, LYS236B, LYS236C, PHE162B, PHE162C, PHE166B, PHE166C, PRO168B, PRO168C, PRO177B, PRO177C, PRO204B, PRO204C, SER161B, SER161C, SER198B, SER198C, SER212B, SER212C, SER219B, SER219C, THR159B, THR159C, THR220B, THR220C, THR223B, THR223C, THR225B, THR225C, THR226B, THR226C, THR228B, THR228C, TYR210B, TYR210C, TYR215B, TYR215C, TYR221B, TYR221C, VAL170B, VAL170C, VAL172B, VAL172C, VAL208B, VAL208C, VAL222B, VAL222C, VAL229B, VAL229C, VAL235B, VAL235C
• B-D: ARG139B, ARG139D, ARG233B, ARG233D, GLY141B, GLY141D, GLY232B, GLY232D, HIS234B, HIS234D, LYS140B, LYS140D, LYS236B, LYS236D, SER142B, SER142D, SER143B, SER143D, VAL235B, VAL235D
• C-D: ALA110C, ALA110D, ALA147C, ALA147D, ALA150C, ALA150D, ALA153C, ALA153D, ALA163C, ALA163D, ALA164C, ALA164D, ALA167C, ALA167D, ALA90C, ALA90D, ALA97C, ALA97D, ARG102C, ARG102D, ARG139C, ARG139D, ARG165C, ARG165D, ASN115C, ASN115D, ASN99C, ASN99D, ASP98C, ASP98D, CYS149C, CYS149D, CYS60C, CYS60D, GLU156C, GLU156D, GLU61C, GLU61D, GLU91C, GLU91D, GLU95C, GLU95D, GLU96C, GLU96D, GLY141C, GLY141D, GLY154C, GLY154D, GLY94C, GLY94D, HIS107C, HIS107D, HIS117C, HIS117D, HIS132C, HIS132D, HIS145C, HIS145D, ILE146C, ILE146D, ILE64C, ILE64D, LEU109C, LEU109D, LEU113C, LEU113D, LEU116C, LEU116D, LEU155C, LEU155D, LEU158C, LEU158D, LEU160C, LEU160D, LEU89C, LEU89D, LYS140C, LYS140D, LYS144C, LYS144D, LYS152C, LYS152D, PHE100C, PHE100D, PHE104C, PHE104D, PHE162C, PHE162D, PHE166C, PHE166D, PRO111C, PRO111D, PRO93C, PRO93D, SER105C, SER105D, SER142C, SER142D, SER143C, SER143D, SER157C, SER157D, SER161C, SER161D, THR101C, THR101D, THR138C, THR138D, THR151C, THR151D, THR159C, THR159D, THR62C, THR62D, THR92C, THR92D, TYR112C, TYR112D, TYR148C, TYR148D, VAL137C, VAL137D, VAL172C, VAL172D