2EW8

crystal structure of the (s)-specific 1-phenylethanol dehydrogenase of the denitrifying bacterium strain ebn1

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 156
  • Norm. En. per Res.: -4.3799
• 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	-33.0495	-35.2032	-452.197	-520.4497	144	15	12	17316	6	16	24
A-C	-19.3464	5.61	-102.127	-115.8634	43	5	0	4123	0	6	13
A-D	-83.1394	-66.475	-505.028	-654.6424	153	27	15	19653	8	36	43
B-C	-95.8822	-73.2303	-514.147	-683.2595	156	22	16	19782	8	36	42
B-D	-17.5193	5.7347	-102.7	-114.4846	44	7	0	4106	0	6	13
C-D	-42.3367	-34.9251	-453.76	-531.0218	142	14	13	17169	6	16	23

Interface residues

• A-B: ALA167A, ALA167B, ALA169A, ALA169B, ALA183A, ALA183B, ALA210A, ALA210B, ALA223A, ALA223B, ALA224A, ALA224B, ALA225A, ALA225B, ALA232A, ALA232B, ALA241A, ALA241B, ARG135A, ARG135B, ARG166A, ARG166B, ARG213A, ARG213B, ARG248A, ARG248B, ARG26A, ARG26B, ARG4A, ARG4B, ASN180A, ASN180B, ASN206A, ASP171A, ASP171B, ASP175A, ASP175B, ASP219A, ASP219B, ASP230A, ASP230B, ASP231A, ASP231B, ASP243A, ASP243B, GLN209A, GLN209B, GLN215A, GLN215B, GLN238A, GLN238B, GLU30A, GLU30B, GLY163A, GLY163B, GLY173A, GLY173B, GLY176A, GLY176B, GLY222A, GLY222B, GLY237A, GLY237B, GLY244A, GLY244B, GLY245A, GLY245B, HIS249A, HIS249B, ILE162A, ILE162B, ILE177A, ILE177B, ILE182A, ILE182B, ILE211A, ILE211B, ILE235A, ILE235B, LEU168A, LEU168B, LEU172A, LEU172B, LEU208B, LEU214A, LEU214B, LEU218A, LEU218B, LEU220A, LEU220B, LEU227A, LEU227B, LEU240A, LEU240B, LYS174A, LYS174B, MET207A, MET207B, MET246A, MET246B, PHE164A, PHE164B, PHE226A, PHE226B, PHE234A, PHE234B, PRO184A, PRO184B, PRO212A, PRO212B, SER170A, SER170B, SER185A, SER185B, SER229A, SER229B, SER233A, SER233B, THR142A, THR142B, THR165A, THR165B, THR178A, THR178B, THR221A, THR221B, THR236A, THR236B, THR239A, THR239B, TRP145A, TRP145B, TYR144A, TYR144B, VAL179A, VAL179B, VAL187A, VAL187B, VAL216A, VAL216B, VAL242A, VAL242B, VAL247A, VAL247B
• A-C: ALA210A, ALA210C, ARG248A, ARG248C, ASN206A, GLN209A, GLN209C, GLU149A, GLU149C, GLY244A, GLY244C, GLY245A, GLY245C, HIS249A, HIS249C, ILE148A, ILE148C, ILE155A, ILE155C, ILE211A, ILE211C, LEU146A, LEU146C, LEU208A, LEU208C, LYS147A, LYS147C, MET207A, MET207C, MET246A, MET246C, PRO212A, PRO212C, THR142A, THR142C, THR143A, THR143C, TRP145A, TRP145C, TYR144A, TYR144C, VAL247A, VAL247C
• A-D: ALA121A, ALA121D, ALA123A, ALA123D, ALA150A, ALA150D, ALA159A, ALA159D, ALA160A, ALA160D, ALA167A, ALA167D, ALA169A, ALA169D, ARG166A, ARG166D, ASN113A, ASN113D, ASN161A, ASN161D, ASP115A, ASP115D, ASP171A, ASP171D, ASP175D, ASP99A, ASP99D, GLN105A, GLN105D, GLN65A, GLN65D, GLU100A, GLU100D, GLU104A, GLU104D, GLU111A, GLU111D, GLU149A, GLU149D, GLY117A, GLY117D, GLY163A, GLY163D, GLY173A, GLY173D, GLY237A, GLY237D, GLY67A, GLY67D, HIS153A, HIS153D, HIS249A, HIS249D, ILE112A, ILE112D, ILE136A, ILE136D, ILE148A, ILE148D, ILE155A, ILE155D, ILE162A, ILE162D, ILE177A, ILE96A, ILE96D, LEU101A, LEU101D, LEU119A, LEU119D, LEU146A, LEU146D, LEU168A, LEU168D, LEU172A, LEU172D, LYS107A, LYS107D, LYS108A, LYS108D, LYS122A, LYS122D, LYS129A, LYS129D, LYS147A, LYS147D, LYS158A, LYS158D, LYS174A, LYS174D, MET120A, MET120D, PHE103A, PHE103D, PHE110A, PHE110D, PHE118A, PHE118D, PHE124A, PHE124D, PHE164A, PHE164D, PHE98A, PHE98D, PRO126A, PRO126D, PRO66A, PRO66D, PRO97A, PRO97D, SER116A, SER116D, SER156A, SER156D, SER170A, SER170D, SER64A, SER64D, THR102A, THR102D, THR109A, THR109D, THR142A, THR142D, THR143A, THR143D, THR152A, THR152D, THR157A, THR157D, THR165A, THR165D, THR236A, THR236D, THR239A, THR239D, TRP106A, TRP106D, TRP145A, TRP145D, TYR144A, TYR144D, TYR151A, TYR151D, TYR154A, TYR154D, VAL114A, VAL114D, VAL125A, VAL125D, VAL179A, VAL179D, VAL247D
• B-C: ALA121B, ALA121C, ALA123B, ALA123C, ALA150B, ALA150C, ALA159B, ALA159C, ALA160B, ALA160C, ALA167B, ALA167C, ALA169B, ALA169C, ARG166B, ARG166C, ASN113B, ASN113C, ASN138B, ASN161B, ASN161C, ASP115B, ASP115C, ASP171B, ASP171C, ASP175B, ASP175C, ASP99B, ASP99C, GLN105B, GLN105C, GLN65B, GLN65C, GLU100B, GLU100C, GLU104B, GLU104C, GLU111B, GLU111C, GLU149B, GLU149C, GLY117B, GLY117C, GLY163B, GLY163C, GLY173B, GLY173C, GLY237B, GLY237C, GLY67B, GLY67C, HIS153B, HIS153C, HIS249B, HIS249C, ILE112B, ILE112C, ILE136B, ILE136C, ILE148B, ILE148C, ILE155B, ILE155C, ILE162B, ILE162C, ILE177B, ILE177C, ILE96B, ILE96C, LEU101B, LEU101C, LEU119B, LEU119C, LEU146B, LEU146C, LEU168B, LEU168C, LEU172B, LEU172C, LYS107B, LYS107C, LYS108B, LYS108C, LYS122B, LYS122C, LYS129B, LYS129C, LYS147B, LYS147C, LYS158B, LYS158C, LYS174B, LYS174C, MET120B, MET120C, PHE103B, PHE103C, PHE110B, PHE110C, PHE118B, PHE118C, PHE124B, PHE124C, PHE164B, PHE164C, PHE98B, PHE98C, PRO126B, PRO126C, PRO66B, PRO66C, PRO97B, PRO97C, SER116B, SER116C, SER141B, SER156B, SER156C, SER170B, SER170C, SER64B, SER64C, THR102B, THR102C, THR142B, THR142C, THR143B, THR143C, THR152B, THR152C, THR157B, THR157C, THR165B, THR165C, THR236B, THR236C, THR239B, THR239C, TRP106B, TRP106C, TRP145B, TRP145C, TYR144B, TYR144C, TYR151B, TYR151C, TYR154B, TYR154C, VAL114B, VAL114C, VAL125B, VAL125C, VAL179B, VAL179C, VAL247B, VAL247C
• B-D: ALA210B, ALA210D, ARG166D, ARG248B, ARG248D, ASN206D, GLN209B, GLN209D, GLU149B, GLU149D, GLY244B, GLY244D, GLY245B, GLY245D, HIS249B, HIS249D, ILE148B, ILE148D, ILE155B, ILE155D, ILE211B, ILE211D, LEU146B, LEU146D, LEU208B, LEU208D, LYS147B, LYS147D, MET207B, MET207D, MET246B, MET246D, PRO212B, PRO212D, THR142B, THR142D, THR143B, THR143D, TRP145B, TRP145D, TYR144B, TYR144D, VAL247B, VAL247D
• C-D: ALA167C, ALA167D, ALA169C, ALA169D, ALA183C, ALA183D, ALA210C, ALA210D, ALA223C, ALA223D, ALA224C, ALA224D, ALA225C, ALA225D, ALA232C, ALA232D, ALA241C, ALA241D, ARG135C, ARG135D, ARG166C, ARG166D, ARG213C, ARG213D, ARG248C, ARG248D, ARG26C, ARG26D, ARG4C, ARG4D, ASN180C, ASN180D, ASN206D, ASP171C, ASP171D, ASP175C, ASP175D, ASP219C, ASP219D, ASP230C, ASP230D, ASP231C, ASP231D, ASP243C, ASP243D, GLN209C, GLN209D, GLN215C, GLN215D, GLN238C, GLN238D, GLU30C, GLU30D, GLY163C, GLY163D, GLY173C, GLY173D, GLY176C, GLY176D, GLY222C, GLY222D, GLY237C, GLY237D, GLY244C, GLY244D, GLY245C, GLY245D, HIS249C, HIS249D, ILE162C, ILE162D, ILE177C, ILE177D, ILE182C, ILE182D, ILE211C, ILE211D, ILE235C, ILE235D, LEU168C, LEU168D, LEU172C, LEU172D, LEU214C, LEU214D, LEU218C, LEU218D, LEU220C, LEU220D, LEU227C, LEU227D, LEU240C, LEU240D, LYS174C, LYS174D, MET207C, MET207D, MET246C, MET246D, PHE164C, PHE164D, PHE226C, PHE226D, PHE234C, PHE234D, PRO184C, PRO184D, PRO212C, PRO212D, SER170C, SER170D, SER185C, SER185D, SER229C, SER229D, SER233C, SER233D, THR142C, THR142D, THR165C, THR165D, THR178C, THR178D, THR221C, THR221D, THR236C, THR236D, THR239C, THR239D, TRP145C, TRP145D, TYR144C, TYR144D, VAL179C, VAL179D, VAL187C, VAL216C, VAL216D, VAL242C, VAL242D, VAL247C, VAL247D