1KYW

crystal structure analysis of caffeic acid/5-hydroxyferulic acid 3/5-o-methyltransferase in complex with 5- hydroxyconiferaldehyde

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 337
  • Norm. En. per Res.: -4.6176
• Hub Node: A(1)

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-F	-142.4986	-142.5193	-1271.12	-1556.1379	337	64	55	53726	10	89	79
C-F	0.0	7.6437	-6.9617	0.682	11	0	0	377	0	5	4

Interface residues

• A-F: ALA109A, ALA109F, ALA112A, ALA112F, ALA126A, ALA126F, ALA146A, ALA146F, ALA157A, ALA19A, ALA19F, ALA23A, ALA23F, ALA27A, ALA27F, ALA29A, ALA29F, ALA303A, ALA303F, ALA309A, ALA309F, ALA322A, ALA322F, ALA353A, ALA353F, ALA39A, ALA39F, ALA63A, ALA63F, ALA73A, ALA73F, ALA85A, ALA85F, ARG104A, ARG104F, ARG171A, ARG330A, ARG330F, ARG79A, ARG79F, ARG82A, ARG82F, ARG95A, ARG95F, ASN128A, ASN128F, ASN131A, ASN131F, ASN20A, ASN20F, ASN324A, ASN324F, ASN352F, ASN355A, ASN355F, ASN70A, ASN70F, ASP133A, ASP133F, ASP145A, ASP145F, ASP149A, ASP149F, ASP16A, ASP16F, ASP273A, ASP273F, ASP305A, ASP305F, ASP317A, ASP317F, ASP337A, ASP337F, ASP43A, ASP43F, ASP72A, ASP72F, ASP78A, ASP78F, CYS298A, CYS298F, CYS86A, CYS86F, CYS92A, CYS92F, GLN103A, GLN103F, GLN132A, GLN132F, GLN25A, GLN25F, GLN65A, GLN65F, GLN8F, GLU138A, GLU138F, GLU17A, GLU17F, GLU18A, GLU18F, GLU193F, GLU329A, GLU329F, GLU334A, GLU334F, GLU41A, GLU41F, GLU6F, GLY100A, GLY100F, GLY150A, GLY150F, GLY151A, GLY151F, GLY312A, GLY312F, GLY326A, GLY326F, GLY327A, GLY327F, GLY5F, HIS13A, HIS13F, HIS142A, HIS142F, HIS183A, HIS183F, HIS269A, HIS269F, HIS315A, HIS315F, HIS323A, HIS323F, ILE124A, ILE124F, ILE14A, ILE14F, ILE152A, ILE152F, ILE186A, ILE186F, ILE316A, ILE316F, ILE319A, ILE319F, ILE35A, ILE35F, ILE47A, ILE47F, ILE62A, ILE88A, ILE88F, ILE89A, ILE89F, ILE9F, LEU105A, LEU105F, LEU115A, LEU115F, LEU127A, LEU127F, LEU129A, LEU129F, LEU136A, LEU136F, LEU143A, LEU143F, LEU148A, LEU148F, LEU21A, LEU21F, LEU26A, LEU26F, LEU300A, LEU300F, LEU308A, LEU308F, LEU321A, LEU321F, LEU32A, LEU32F, LEU36A, LEU36F, LEU40A, LEU40F, LEU42A, LEU42F, LEU44A, LEU44F, LEU45A, LEU45F, LEU66A, LEU66F, LEU77A, LEU77F, LEU81A, LEU81F, LEU83A, LEU83F, LEU84A, LEU84F, LEU90A, LEU90F, LYS101A, LYS101F, LYS113A, LYS113F, LYS134A, LYS134F, LYS144A, LYS144F, LYS156A, LYS156F, LYS190A, LYS190F, LYS311A, LYS311F, LYS328A, LYS328F, LYS333A, LYS333F, LYS37A, LYS37F, MET130A, MET130F, MET137A, MET137F, MET24A, MET24F, MET320A, MET320F, MET34A, MET34F, MET76A, MET76F, MET80A, MET80F, PHE22A, PHE22F, PHE354A, PHE354F, PRO11F, PRO153A, PRO153F, PRO301A, PRO301F, PRO304A, PRO304F, PRO325A, PRO325F, PRO33A, PRO33F, PRO67A, PRO67F, PRO71A, PRO71F, PRO74A, PRO74F, SER123A, SER123F, SER125A, SER125F, SER139A, SER139F, SER15A, SER15F, SER272A, SER272F, SER28A, SER28F, SER306A, SER306F, SER307A, SER307F, SER30A, SER30F, SER38A, SER38F, SER93A, SER93F, THR10F, THR110A, THR110F, THR12F, THR187A, THR187F, THR310A, THR310F, THR331A, THR331F, THR356A, THR356F, THR68A, THR68F, THR69A, THR69F, THR7F, THR91A, THR91F, THR96A, THR96F, TRP140A, TRP140F, TRP266A, TRP266F, TYR106A, TYR106F, TYR114A, TYR114F, TYR141A, TYR141F, TYR158A, TYR87A, TYR87F, VAL102A, VAL102F, VAL111A, VAL111F, VAL116F, VAL135A, VAL135F, VAL147A, VAL147F, VAL302A, VAL302F, VAL313A, VAL313F, VAL314A, VAL314F, VAL318A, VAL318F, VAL31A, VAL31F, VAL75A, VAL75F, VAL94A, VAL94F
• C-F: ASP145C, ASP149C, ASP99F, GLN97F, GLN98F, GLY100F, GLY150C, LEU148C, LYS101F, LYS144C, VAL147C