3IMF

1.99 angstrom resolution crystal structure of a short chain dehydrogenase from bacillus anthracis str. 'ames ancestor'

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 138
  • Norm. En. per Res.: -3.8515
• 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	-39.2117	13.7826	-444.643	-470.0722	151	6	7	16581	2	21	30
A-C	-23.9005	-28.8013	-137.841	-190.5428	60	5	2	4799	3	6	11
A-D	-90.7395	-8.2485	-423.322	-522.31	139	16	26	16838	0	18	17
B-C	-92.3598	-4.4186	-434.735	-531.5134	138	8	23	16613	0	18	17
B-D	-23.4379	-28.6524	-145.919	-198.0093	65	5	2	5101	2	6	12
C-D	-31.0549	-9.802	-437.474	-478.3309	149	11	7	16268	3	22	32

Interface residues

• A-B: ALA162A, ALA162B, ALA168A, ALA168B, ALA183A, ALA183B, ALA222A, ALA222B, ALA225A, ALA225B, ALA233A, ALA233B, ALA234A, ALA234B, ARG173A, ARG173B, ARG178A, ARG178B, ARG205B, ARG214A, ARG214B, ARG22A, ARG22B, ASN180A, ASN180B, ASN237A, ASN237B, ASP231A, ASP231B, ASP244A, ASP244B, CYS240A, CYS240B, GLN208A, GLN208B, GLN247A, GLN247B, GLN251A, GLN251B, GLU170A, GLU170B, GLU188A, GLU188B, GLU219A, GLU219B, GLU220A, GLU220B, GLU232A, GLU232B, GLU26A, GLU26B, GLY133B, GLY172A, GLY172B, GLY176A, GLY176B, GLY185A, GLY185B, GLY213A, GLY213B, GLY216A, GLY216B, GLY223A, GLY223B, GLY238A, GLY238B, GLY245A, GLY245B, GLY246A, GLY246B, HIS248A, HIS248B, HIS250A, HIS250B, ILE177A, ILE177B, ILE182A, ILE182B, ILE187A, ILE187B, ILE207A, ILE207B, ILE221A, ILE221B, ILE236A, ILE236B, LEU161A, LEU161B, LEU167A, LEU167B, LEU212A, LEU212B, LEU215A, LEU215B, LEU224A, LEU224B, LEU228A, LEU228B, LEU249A, LEU249B, LYS132A, LYS132B, LYS165A, LYS165B, LYS174A, LYS174B, PRO184A, PRO184B, PRO186A, PRO186B, PRO211A, PRO211B, PRO253A, PRO253B, SER209A, SER209B, SER230A, SER230B, THR141B, THR164A, THR164B, THR166A, THR166B, THR206A, THR206B, THR217A, THR217B, THR239A, THR239B, THR242A, THR242B, TRP144A, TRP144B, TRP171A, TRP171B, TYR175A, TYR175B, TYR226A, TYR226B, TYR227A, TYR227B, TYR235A, TYR235B, TYR252A, TYR252B, VAL169A, VAL169B, VAL179A, VAL179B, VAL210A, VAL210B
• A-C: ALA140A, ALA140C, ALA143A, ALA143C, ALA146A, ALA146C, ALA154A, ALA154C, ARG205A, ARG205C, ASN91A, ASN91C, ASP145A, ASP145C, ASP244A, ASP244C, CYS94A, CYS94C, GLN247A, GLN247C, GLN251A, GLN251C, GLY147A, GLY147C, GLY149A, GLY149C, GLY246A, GLY246C, HIS248A, HIS248C, HIS250A, HIS250C, ILE151A, ILE151C, ILE93A, ILE93C, LEU249A, LEU249C, PHE92A, PRO148A, PRO148C, PRO186C, PRO211A, PRO211C, PRO253A, PRO253C, SER209A, SER209C, THR141A, THR141C, THR206A, THR206C, TRP144A, TRP144C, TYR142A, TYR142C, TYR252A, TYR252C, VAL150A, VAL150C
• A-D: ALA121A, ALA121D, ALA143A, ALA143D, ALA146A, ALA146D, ALA154A, ALA154D, ALA155A, ALA155D, ALA156A, ALA156D, ALA158A, ALA158D, ALA162A, ALA162D, ALA168A, ALA168D, ALA96A, ALA96D, ARG173A, ARG173D, ARG62A, ARG62D, ASN102A, ASN102D, ASN105A, ASN105D, ASN109A, ASN109D, ASN113A, ASN113D, ASN137A, ASN137D, ASN63A, ASN63D, ASP145A, ASP145D, ASP98A, ASP98D, CYS94A, CYS94D, GLN120A, GLN120D, GLN68D, GLU170A, GLU170D, GLU97A, GLU97D, GLY103A, GLY103D, GLY114A, GLY114D, GLY123A, GLY123D, GLY147A, GLY147D, GLY149A, GLY149D, GLY159A, GLY159D, GLY238A, GLY238D, HIS152A, HIS152D, ILE108A, ILE108D, ILE127A, ILE127D, ILE151A, ILE151D, ILE177A, ILE177D, ILE67A, ILE67D, ILE93A, ILE93D, LEU112A, LEU112D, LEU161A, LEU161D, LEU167A, LEU167D, LEU99A, LEU99D, LYS124A, LYS124D, LYS157A, LYS157D, LYS165A, LYS165D, LYS174A, LYS174D, PHE116A, PHE116D, PRO148A, PRO148D, PRO95A, PRO95D, SER100A, SER100D, SER106A, SER106D, SER119A, SER119D, SER153A, SER153D, THR115A, THR115D, THR164A, THR164D, THR166A, THR166D, THR64A, THR64D, TRP104A, TRP104D, TRP144A, TRP144D, TRP171A, TRP171D, TYR117A, TYR117D, TYR142A, TYR142D, TYR175A, TYR175D, VAL101A, VAL101D, VAL111A, VAL111D, VAL150A, VAL150D, VAL160A, VAL160D, VAL169A, VAL169D, VAL179A, VAL179D
• B-C: ALA121B, ALA121C, ALA143B, ALA143C, ALA146B, ALA146C, ALA154B, ALA154C, ALA155B, ALA155C, ALA156B, ALA156C, ALA158B, ALA158C, ALA162B, ALA162C, ALA168B, ALA168C, ALA96B, ALA96C, ARG173B, ARG173C, ARG62B, ARG62C, ASN102B, ASN102C, ASN105B, ASN105C, ASN109B, ASN109C, ASN113B, ASN113C, ASN137B, ASN137C, ASN63B, ASN63C, ASP145B, ASP145C, ASP98B, ASP98C, CYS94B, CYS94C, GLN120B, GLN120C, GLU170B, GLU170C, GLU97B, GLU97C, GLY103B, GLY103C, GLY114B, GLY114C, GLY123B, GLY123C, GLY147B, GLY147C, GLY149B, GLY149C, GLY159B, GLY159C, GLY238B, GLY238C, HIS152B, HIS152C, ILE108B, ILE108C, ILE127B, ILE127C, ILE151B, ILE151C, ILE177B, ILE177C, ILE67B, ILE67C, ILE93B, ILE93C, LEU112B, LEU112C, LEU161B, LEU161C, LEU167B, LEU167C, LEU99B, LEU99C, LYS124B, LYS124C, LYS157B, LYS157C, LYS165B, LYS165C, LYS174B, LYS174C, PHE116B, PHE116C, PRO148B, PRO148C, PRO95B, PRO95C, SER100B, SER100C, SER119B, SER119C, SER153B, SER153C, THR115B, THR115C, THR164B, THR164C, THR166B, THR166C, THR64B, THR64C, TRP104B, TRP104C, TRP144B, TRP144C, TRP171B, TRP171C, TYR117B, TYR117C, TYR125B, TYR125C, TYR142B, TYR142C, TYR175B, TYR175C, VAL101B, VAL101C, VAL111B, VAL111C, VAL150B, VAL150C, VAL160B, VAL160C, VAL169B, VAL169C, VAL179B, VAL179C
• B-D: ALA140B, ALA140D, ALA143B, ALA143D, ALA146B, ALA146D, ALA154B, ALA154D, ALA203B, ARG205B, ARG205D, ASN91B, ASN91D, ASP145B, ASP145D, ASP244B, ASP244D, CYS94B, CYS94D, GLN208B, GLN247B, GLN247D, GLN251B, GLN251D, GLU201D, GLY147B, GLY147D, GLY149B, GLY149D, GLY246B, GLY246D, HIS248B, HIS248D, HIS250B, HIS250D, ILE151D, ILE207B, ILE93B, ILE93D, LEU249B, LEU249D, PHE92B, PHE92D, PRO148B, PRO148D, PRO186B, PRO186D, PRO211B, PRO211D, PRO253B, PRO253D, SER209B, THR141B, THR141D, THR206B, THR206D, TRP144B, TRP144D, TYR142B, TYR142D, TYR252B, TYR252D, VAL150B, VAL150D, VAL210B
• C-D: ALA162C, ALA162D, ALA168C, ALA168D, ALA183C, ALA183D, ALA222C, ALA222D, ALA225C, ALA225D, ALA233C, ALA233D, ALA234C, ALA234D, ARG173C, ARG173D, ARG178C, ARG178D, ARG205C, ARG214C, ARG214D, ARG22C, ARG22D, ASN180C, ASN180D, ASN237C, ASN237D, ASP231C, ASP231D, ASP244C, ASP244D, CYS240C, CYS240D, GLN208C, GLN208D, GLN247C, GLN247D, GLN251C, GLN251D, GLU170C, GLU170D, GLU188C, GLU188D, GLU219C, GLU219D, GLU220C, GLU220D, GLU232C, GLU232D, GLU26D, GLY172C, GLY172D, GLY176C, GLY176D, GLY185C, GLY185D, GLY213C, GLY213D, GLY216C, GLY216D, GLY223C, GLY223D, GLY238C, GLY238D, GLY245C, GLY245D, GLY246C, GLY246D, HIS248C, HIS248D, HIS250C, HIS250D, ILE177C, ILE177D, ILE182C, ILE182D, ILE187C, ILE187D, ILE207C, ILE207D, ILE221C, ILE221D, ILE236C, ILE236D, LEU161C, LEU161D, LEU167C, LEU167D, LEU212C, LEU212D, LEU215C, LEU215D, LEU224C, LEU224D, LEU228C, LEU228D, LEU249C, LEU249D, LYS132C, LYS132D, LYS165C, LYS165D, LYS174C, LYS174D, PRO184C, PRO184D, PRO186C, PRO186D, PRO211C, PRO211D, PRO253C, PRO253D, SER209C, SER209D, SER230C, SER230D, THR141D, THR164C, THR164D, THR166C, THR166D, THR206C, THR206D, THR217C, THR217D, THR239C, THR239D, THR242C, THR242D, TRP144C, TRP144D, TRP171C, TRP171D, TYR175C, TYR175D, TYR226C, TYR226D, TYR227C, TYR227D, TYR235C, TYR235D, TYR252C, TYR252D, VAL169C, VAL169D, VAL179C, VAL179D, VAL210C, VAL210D