3ABO

crystal structure of ethanolamine ammonia-lyase from escherichia coli complexed with cn-cbl and ethanolamine

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 94
  • Norm. En. per Res.: -4.1234
• 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	-126.443	-49.8376	-609.614	-785.8946	221	31	8	24946	8	86	58
A-C	-74.6773	-126.0262	-335.642	-536.3455	142	15	11	13544	11	50	41
A-D	-75.795	-38.7619	-273.043	-387.5999	94	15	6	10757	3	30	22
B-C	-70.4462	-39.1289	-264.347	-373.922	92	16	6	10509	3	30	22
C-D	-112.0927	-68.3977	-622.374	-802.8644	220	23	8	25092	7	86	57

Interface residues

• A-B: ALA173B, ALA174A, ALA175A, ALA249B, ALA254B, ALA293A, ALA296A, ALA34A, ALA369A, ALA371A, ALA408A, ALA413A, ALA446A, ALA64B, ALA76B, ALA83B, ALA91B, ARG101B, ARG136B, ARG141B, ARG142B, ARG167A, ARG206B, ARG229B, ARG237A, ARG256B, ARG295B, ARG416A, ARG441A, ARG445A, ARG63B, ARG71B, ARG72B, ARG77B, ARG82B, ARG86B, ARG88B, ARG94B, ASN131B, ASN164A, ASN261B, ASN367A, ASN374A, ASN376A, ASN403A, ASN60B, ASP104B, ASP138B, ASP165A, ASP168A, ASP169A, ASP197A, ASP198A, ASP255B, ASP370A, ASP372A, ASP398A, ASP399A, ASP411A, ASP448A, ASP65B, ASP98B, CYS258B, CYS364A, CYS79B, GLN171A, GLN176A, GLN234B, GLN264B, GLN373A, GLN405A, GLN417A, GLN90B, GLU179A, GLU228B, GLU233A, GLU236B, GLU253B, GLU257A, GLU261A, GLU333A, GLU377A, GLU59B, GLU69B, GLY140B, GLY180A, GLY227B, GLY231B, GLY233B, GLY254A, GLY259A, GLY265B, GLY266B, GLY291A, GLY297A, GLY30A, GLY328A, GLY331A, GLY397A, GLY447A, GLY81B, GLY84B, HIS227A, HIS263B, HIS368A, HIS410A, HIS62B, HIS99B, ILE127B, ILE173A, ILE177A, ILE259B, ILE262B, ILE291B, ILE330A, ILE381A, ILE400A, ILE436A, ILE56B, LEU107B, LEU132B, LEU134B, LEU169B, LEU232B, LEU238B, LEU255A, LEU294A, LEU33A, LEU396A, LEU402A, LEU418A, LEU442A, LEU451A, LEU67B, LEU70B, LEU92B, LEU93B, LEU96B, LYS103B, LYS130B, LYS208B, LYS253A, LYS256A, LYS444A, MET139B, MET248B, MET264A, MET380A, MET394A, MET401A, PHE183A, PHE258A, PHE329A, PHE409A, PHE452A, PHE453A, PHE95B, PRO137B, PRO163A, PRO194A, PRO230B, PRO268B, PRO332A, PRO395A, PRO449A, PRO61B, PRO85B, PRO87B, SER102B, SER170B, SER172A, SER182A, SER235B, SER237B, SER239B, SER260B, SER292A, SER295A, SER29A, SER450A, SER73B, THR105B, THR135B, THR166A, THR196A, THR229A, THR230A, THR250B, THR251B, THR257B, THR267B, THR366A, THR406A, THR407A, THR412A, THR414A, THR443A, THR68B, THR74B, THR80B, TRP55B, TYR133B, TYR178A, TYR334A, TYR336A, TYR365A, TYR404A, VAL106B, VAL170A, VAL195A, VAL199A, VAL252B, VAL260A, VAL275B, VAL326A, VAL32A, VAL415A, VAL58B, VAL66B, VAL75B, VAL78B
• A-C: ALA132A, ALA132C, ALA138A, ALA138C, ALA369A, ALA369C, ALA371A, ALA371C, ALA384A, ALA384C, ALA386A, ALA386C, ALA413A, ALA413C, ARG28A, ARG28C, ARG339A, ARG339C, ARG343A, ARG343C, ARG416A, ARG416C, ARG441A, ARG441C, ARG445A, ARG44A, ARG44C, ARG97A, ARG97C, ASN131A, ASN131C, ASN337A, ASN337C, ASN374A, ASN374C, ASN376A, ASN376C, ASN378A, ASN378C, ASN420A, ASN420C, ASP103A, ASP103C, ASP133A, ASP133C, ASP338A, ASP338C, ASP370A, ASP370C, ASP372A, ASP372C, ASP411A, ASP411C, CYS129A, CYS129C, GLN340A, GLN340C, GLN373A, GLN373C, GLN417A, GLN417C, GLU104A, GLU104C, GLU26A, GLU26C, GLU347A, GLU347C, GLU377A, GLU377C, GLY137A, GLY137C, GLY387A, GLY387C, HIS410A, HIS410C, ILE135A, ILE135C, ILE341A, ILE341C, ILE342A, ILE342C, ILE381A, ILE381C, LEU101A, LEU101C, LEU134A, LEU134C, LEU27A, LEU27C, LEU346A, LEU346C, LEU375A, LEU375C, LEU379A, LEU379C, LEU382A, LEU382C, LEU383A, LEU383C, LEU396A, LEU396C, LEU418A, LEU418C, LEU419A, LEU419C, LEU421A, LEU421C, LEU442A, LEU442C, LYS139A, LYS139C, LYS140A, LYS140C, LYS444A, LYS444C, LYS48A, LYS48C, MET380A, MET380C, SER102A, SER102C, SER106A, SER106C, SER130A, SER130C, SER41A, SER41C, THR105A, THR105C, THR385A, THR385C, THR407A, THR414A, THR414C, THR443A, THR443C, TYR136A, TYR136C, TYR336A, TYR336C, VAL415A, VAL415C
• A-D: ALA132A, ALA24A, ALA44D, ALA46A, ALA47A, ALA52D, ALA83D, ALA91D, ALA97D, ARG101D, ARG339A, ARG343A, ARG44A, ARG82D, ARG86D, ARG88D, ARG94D, ARG97A, ASN10A, ASN131A, ASN60D, ASP103A, ASP104D, ASP133A, ASP46D, ASP98D, CYS129A, GLN42A, GLN49A, GLN90D, GLU104A, GLU26A, GLU43A, GLU53A, GLU59D, GLU95A, GLU98A, GLY137A, GLY233D, GLY48D, GLY57D, GLY84D, GLY9A, HIS99D, ILE128A, ILE135A, ILE93A, LEU101A, LEU134A, LEU232D, LEU45D, LEU47D, LEU51A, LEU7A, LEU92D, LEU93D, LEU96A, LEU96D, LYS103D, LYS127A, LYS140A, LYS2A, LYS48A, LYS4A, LYS53D, PHE8A, PHE95D, PRO85D, PRO87D, SER100D, SER102A, SER102D, SER130A, SER40A, SER41A, SER49D, SER52A, SER92A, SER94A, THR105A, THR105D, THR5A, THR6A, THR80D, THR89D, TRP55D, TYR12A, TYR136A, TYR99A, VAL100A, VAL11A, VAL125A, VAL45A, VAL50A
• B-C: ALA132C, ALA24C, ALA44B, ALA46C, ALA47C, ALA52B, ALA83B, ALA91B, ALA97B, ARG101B, ARG339C, ARG343C, ARG44C, ARG82B, ARG86B, ARG88B, ARG94B, ARG97C, ASN10C, ASN131C, ASN60B, ASP103C, ASP104B, ASP133C, ASP46B, ASP98B, CYS129C, GLN42C, GLN49C, GLN90B, GLU104C, GLU26C, GLU43C, GLU53C, GLU59B, GLU95C, GLU98C, GLY137C, GLY233B, GLY48B, GLY57B, GLY84B, GLY9C, HIS99B, ILE128C, ILE135C, ILE93C, LEU101C, LEU134C, LEU232B, LEU45B, LEU47B, LEU51C, LEU7C, LEU92B, LEU93B, LEU96B, LEU96C, LYS103B, LYS127C, LYS140C, LYS2C, LYS48C, LYS4C, LYS53B, PHE8C, PHE95B, PRO85B, PRO87B, SER100B, SER102B, SER102C, SER130C, SER40C, SER41C, SER49B, SER52C, SER92C, SER94C, THR105B, THR105C, THR5C, THR6C, THR80B, THR89B, TRP55B, TYR136C, TYR99C, VAL100C, VAL11C, VAL45C, VAL50C
• C-D: ALA173D, ALA174C, ALA175C, ALA249D, ALA254D, ALA296C, ALA34C, ALA369C, ALA371C, ALA408C, ALA413C, ALA446C, ALA64D, ALA76D, ALA83D, ALA91D, ARG101D, ARG136D, ARG141D, ARG167C, ARG206D, ARG229D, ARG237C, ARG256D, ARG295D, ARG416C, ARG441C, ARG445C, ARG63D, ARG71D, ARG72D, ARG77D, ARG82D, ARG86D, ARG88D, ARG94D, ASN131D, ASN164C, ASN261D, ASN367C, ASN374C, ASN376C, ASN403C, ASN60D, ASP104D, ASP138D, ASP165C, ASP168C, ASP169C, ASP197C, ASP198C, ASP255D, ASP370C, ASP372C, ASP398C, ASP399C, ASP411C, ASP448C, ASP65D, ASP98D, CYS258D, CYS364C, CYS79D, GLN162C, GLN171C, GLN176C, GLN234D, GLN264D, GLN373C, GLN405C, GLN417C, GLN90D, GLU179C, GLU228D, GLU233C, GLU236D, GLU252C, GLU253D, GLU257C, GLU261C, GLU271D, GLU333C, GLU377C, GLU59D, GLU69D, GLY140D, GLY180C, GLY227D, GLY231D, GLY233D, GLY254C, GLY259C, GLY265D, GLY266D, GLY297C, GLY30C, GLY328C, GLY331C, GLY397C, GLY447C, GLY81D, GLY84D, HIS227C, HIS263D, HIS368C, HIS410C, HIS62D, HIS99D, ILE173C, ILE177C, ILE259D, ILE262D, ILE291D, ILE330C, ILE381C, ILE400C, ILE436C, ILE56D, LEU107D, LEU132D, LEU134D, LEU169D, LEU232D, LEU238D, LEU255C, LEU294C, LEU33C, LEU396C, LEU402C, LEU418C, LEU442C, LEU451C, LEU67D, LEU70D, LEU92D, LEU93D, LEU96D, LYS103D, LYS130D, LYS208D, LYS253C, LYS256C, LYS444C, MET139D, MET248D, MET264C, MET380C, MET394C, MET401C, PHE183C, PHE258C, PHE329C, PHE409C, PHE452C, PHE453C, PHE95D, PRO137D, PRO163C, PRO194C, PRO230D, PRO268D, PRO332C, PRO395C, PRO449C, PRO61D, PRO85D, PRO87D, SER100D, SER102D, SER170D, SER172C, SER182C, SER235D, SER237D, SER239D, SER260D, SER295C, SER29C, SER450C, SER73D, THR105D, THR135D, THR166C, THR196C, THR229C, THR230C, THR250D, THR251D, THR257D, THR267D, THR366C, THR406C, THR407C, THR412C, THR414C, THR443C, THR68D, THR74D, THR80D, TRP55D, TYR133D, TYR178C, TYR334C, TYR336C, TYR365C, TYR404C, VAL106D, VAL170C, VAL195C, VAL199C, VAL252D, VAL260C, VAL275D, VAL326C, VAL32C, VAL415C, VAL58D, VAL66D, VAL75D, VAL78D