3P9K

crystal structure of perennial ryegrass lpomt1 complexed with s- adenosyl-l-homocysteine and coniferaldehyde

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 335
  • Norm. En. per Res.: -5.1697
• Hub Node: B(2)

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	-196.705	-258.0924	-1277.06	-1731.8574	335	74	38	50668	22	94	83
B-C	0.0	0.0	-0.1686	-0.1686	4	0	0	41	0	3	2
B-D	0.0	0.0	-7.6486	-7.6486	13	0	0	522	0	4	4
C-D	-192.8655	-231.2789	-1277.04	-1701.1843	331	59	43	49975	21	91	80

Interface residues

• A-B: ALA106A, ALA106B, ALA10A, ALA10B, ALA122A, ALA122B, ALA123A, ALA123B, ALA125A, ALA125B, ALA12A, ALA12B, ALA143A, ALA143B, ALA154A, ALA154B, ALA16A, ALA16B, ALA20A, ALA20B, ALA24A, ALA24B, ALA303A, ALA303B, ALA319A, ALA319B, ALA334B, ALA351A, ALA351B, ALA353A, ALA353B, ALA36A, ALA36B, ALA59A, ALA59B, ALA65A, ALA65B, ALA66A, ALA66B, ALA70A, ALA70B, ALA82A, ALA82B, ALA9A, ALA9B, ARG101A, ARG101B, ARG325A, ARG325B, ARG327A, ARG327B, ARG330A, ARG330B, ARG76A, ARG76B, ARG79A, ARG79B, ARG98A, ARG98B, ASN128A, ASN128B, ASN300A, ASN300B, ASN304A, ASN304B, ASN321A, ASN321B, ASN352A, ASN352B, ASN35A, ASN35B, ASN67A, ASN67B, ASN85A, ASN85B, ASP130A, ASP130B, ASP13A, ASP13B, ASP142A, ASP142B, ASP146A, ASP146B, ASP15A, ASP15B, ASP267A, ASP267B, ASP270B, ASP314A, ASP314B, ASP72A, ASP72B, ASP75A, ASP75B, ASP96A, CYS109A, CYS109B, CYS17A, CYS17B, CYS295A, CYS295B, CYS89B, GLN129A, GLN129B, GLN22A, GLN22B, GLN308A, GLN308B, GLN333B, GLU135A, GLU135B, GLU14A, GLU14B, GLU302A, GLU302B, GLU326A, GLU326B, GLU329B, GLU331A, GLU331B, GLU38A, GLU38B, GLU69A, GLU69B, GLU92A, GLU92B, GLU93A, GLU93B, GLY147A, GLY147B, GLY148A, GLY148B, GLY309A, GLY309B, GLY323A, GLY323B, GLY324A, GLY324B, GLY40A, GLY40B, GLY94A, GLY97A, GLY97B, HIS180A, HIS180B, HIS266A, HIS266B, HIS312A, HIS312B, HIS320A, HIS320B, ILE149A, ILE149B, ILE183A, ILE183B, ILE184A, ILE184B, ILE316A, ILE316B, ILE349A, ILE349B, ILE37A, ILE37B, ILE77A, ILE77B, LEU112A, LEU112B, LEU124A, LEU124B, LEU126A, LEU126B, LEU133A, LEU133B, LEU140A, LEU140B, LEU145A, LEU145B, LEU191A, LEU191B, LEU21A, LEU21B, LEU23A, LEU23B, LEU297A, LEU297B, LEU29A, LEU29B, LEU318A, LEU318B, LEU335B, LEU33A, LEU33B, LEU39A, LEU39B, LEU41A, LEU41B, LEU42A, LEU42B, LEU62A, LEU62B, LEU78A, LEU78B, LEU80A, LEU80B, LEU81A, LEU81B, LEU90B, LEU99A, LEU99B, LYS110A, LYS110B, LYS131A, LYS131B, LYS141A, LYS141B, LYS153A, LYS153B, LYS187A, LYS187B, LYS34A, LYS34B, LYS61B, LYS95A, MET121A, MET121B, MET127A, MET127B, MET134A, MET134B, MET18A, MET18B, MET315A, MET315B, MET317A, MET317B, MET31A, MET31B, MET73A, MET73B, PHE111A, PHE111B, PHE19A, PHE19B, PHE311A, PHE311B, PRO107A, PRO107B, PRO150A, PRO150B, PRO298A, PRO298B, PRO301A, PRO301B, PRO305A, PRO305B, PRO30A, PRO30B, PRO63A, PRO63B, PRO68A, PRO68B, PRO71A, PRO71B, SER100A, SER100B, SER11A, SER11B, SER120A, SER120B, SER136A, SER136B, SER25A, SER25B, SER269A, SER269B, SER26A, SER26B, SER27A, SER27B, SER306A, SER306B, SER307A, SER307B, SER64A, SER64B, SER83A, SER83B, THR113A, THR113B, THR32A, THR32B, TRP137A, TRP137B, TRP263A, TRP263B, TYR103A, TYR103B, TYR138A, TYR138B, TYR139A, TYR139B, TYR155A, TYR155B, TYR328A, TYR328B, TYR348A, TYR348B, TYR350A, TYR350B, TYR84A, TYR84B, VAL108A, VAL108B, VAL132A, VAL132B, VAL144A, VAL144B, VAL28A, VAL28B, VAL299A, VAL299B, VAL310A, VAL310B, VAL313A, VAL313B, VAL58A, VAL58B, VAL74A, VAL74B, VAL86A, VAL86B, VAL87A, VAL87B, VAL91A, VAL91B
• B-C: GLU190C, LEU191C, PRO167B, THR165B
• B-D: ALA10D, ALA12D, ASP13D, ASP15D, GLU235B, GLY164B, GLY246B, HIS231B, ILE233B, PRO230B, SER11D, SER234B, VAL232B
• C-D: ALA106C, ALA106D, ALA10C, ALA10D, ALA122C, ALA122D, ALA123C, ALA123D, ALA125C, ALA125D, ALA12C, ALA12D, ALA143C, ALA143D, ALA154C, ALA154D, ALA16C, ALA16D, ALA20C, ALA20D, ALA24C, ALA24D, ALA303C, ALA303D, ALA319C, ALA319D, ALA334D, ALA351C, ALA351D, ALA353C, ALA353D, ALA36C, ALA36D, ALA59C, ALA59D, ALA65C, ALA65D, ALA66C, ALA66D, ALA70C, ALA70D, ALA82C, ALA82D, ALA9C, ARG101C, ARG101D, ARG168C, ARG325C, ARG325D, ARG327C, ARG327D, ARG330C, ARG330D, ARG76C, ARG76D, ARG79C, ARG79D, ARG98C, ARG98D, ASN128C, ASN128D, ASN300C, ASN300D, ASN304C, ASN304D, ASN321C, ASN321D, ASN352C, ASN352D, ASN35C, ASN35D, ASN67C, ASN67D, ASN85C, ASN85D, ASP130C, ASP130D, ASP13C, ASP13D, ASP142C, ASP142D, ASP146C, ASP146D, ASP15C, ASP15D, ASP267C, ASP267D, ASP270D, ASP314C, ASP314D, ASP72C, ASP72D, ASP75C, ASP75D, ASP96C, CYS109C, CYS109D, CYS17C, CYS17D, CYS295C, CYS295D, CYS89C, CYS89D, GLN129C, GLN129D, GLN22C, GLN22D, GLN271D, GLN308C, GLN308D, GLN333D, GLU135C, GLU135D, GLU14C, GLU14D, GLU302C, GLU302D, GLU326C, GLU326D, GLU331C, GLU331D, GLU38C, GLU38D, GLU69C, GLU69D, GLU92C, GLU92D, GLU93C, GLY147C, GLY147D, GLY148C, GLY148D, GLY309C, GLY309D, GLY323C, GLY323D, GLY324C, GLY324D, GLY40C, GLY40D, GLY94C, GLY97C, GLY97D, HIS180C, HIS180D, HIS266C, HIS266D, HIS312C, HIS312D, HIS320C, HIS320D, ILE149C, ILE149D, ILE183C, ILE183D, ILE184C, ILE184D, ILE316C, ILE316D, ILE349C, ILE349D, ILE37C, ILE37D, ILE77C, ILE77D, LEU112C, LEU112D, LEU124C, LEU124D, LEU126C, LEU126D, LEU133C, LEU133D, LEU140C, LEU140D, LEU145C, LEU145D, LEU191C, LEU21C, LEU21D, LEU23C, LEU23D, LEU297C, LEU297D, LEU29C, LEU29D, LEU318C, LEU318D, LEU33C, LEU33D, LEU39C, LEU39D, LEU41C, LEU41D, LEU42C, LEU42D, LEU62C, LEU62D, LEU78C, LEU78D, LEU80C, LEU80D, LEU81C, LEU81D, LEU90D, LEU99C, LEU99D, LYS110C, LYS110D, LYS131C, LYS131D, LYS141C, LYS141D, LYS153C, LYS153D, LYS187C, LYS187D, LYS34C, LYS34D, LYS95C, MET121C, MET121D, MET127C, MET127D, MET134C, MET134D, MET18C, MET18D, MET315C, MET315D, MET317C, MET317D, MET31C, MET31D, MET73C, MET73D, PHE111C, PHE111D, PHE19C, PHE19D, PHE311C, PHE311D, PRO107C, PRO107D, PRO150C, PRO150D, PRO298C, PRO298D, PRO301C, PRO301D, PRO305C, PRO305D, PRO30C, PRO30D, PRO63C, PRO63D, PRO68C, PRO68D, PRO71C, PRO71D, SER100D, SER11C, SER11D, SER120C, SER120D, SER136C, SER136D, SER25C, SER25D, SER269C, SER269D, SER26C, SER26D, SER27C, SER27D, SER306C, SER306D, SER307C, SER307D, SER64C, SER64D, SER83C, SER83D, THR113C, THR113D, THR32C, THR32D, TRP137C, TRP137D, TRP263C, TRP263D, TYR103C, TYR103D, TYR138C, TYR138D, TYR139C, TYR139D, TYR155C, TYR155D, TYR328C, TYR328D, TYR348C, TYR348D, TYR350C, TYR350D, TYR84C, TYR84D, VAL108C, VAL108D, VAL132C, VAL132D, VAL144C, VAL144D, VAL28C, VAL28D, VAL299C, VAL299D, VAL310C, VAL310D, VAL313C, VAL313D, VAL58C, VAL58D, VAL74C, VAL74D, VAL86C, VAL86D, VAL87C, VAL87D, VAL91C, VAL91D