3I5U

crystal structure of an o-methyltransferase (ncsb1) from neocarzinostatin biosynthesis in complex with s-adenosylmethionine (sam) and 2-hydroxy-5-methyl naphthoic acid (mna)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 233
  • Norm. En. per Res.: -4.3375
• 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-B	-113.5593	-91.7713	-805.308	-1010.6387	233	45	39	33971	7	78	96

Interface residues

• A-B: ALA114A, ALA114B, ALA123B, ALA12A, ALA12B, ALA14A, ALA14B, ALA17A, ALA17B, ALA21A, ALA21B, ALA25A, ALA25B, ALA26A, ALA26B, ALA277A, ALA277B, ALA31A, ALA31B, ALA45A, ALA45B, ALA48A, ALA48B, ALA50A, ALA50B, ALA52A, ALA52B, ALA5A, ALA5B, ALA64A, ALA64B, ALA6A, ALA6B, ALA91A, ALA91B, ARG105A, ARG105B, ARG118A, ARG118B, ARG11A, ARG11B, ARG127A, ARG127B, ARG23A, ARG23B, ARG289A, ARG289B, ARG299A, ARG299B, ARG57A, ARG57B, ARG60A, ARG60B, ARG86A, ARG86B, ARG94A, ARG94B, ASN100A, ASN100B, ASP107A, ASP107B, ASP157A, ASP15A, ASP15B, ASP249A, ASP249B, ASP250A, ASP250B, ASP287A, ASP287B, ASP53A, ASP53B, ASP56A, ASP56B, ASP98B, GLN121A, GLN121B, GLN84A, GLN84B, GLU112A, GLU112B, GLU298A, GLU298B, GLU303A, GLU303B, GLU80A, GLU80B, GLU83A, GLU83B, GLY104A, GLY104B, GLY106A, GLY106B, GLY109A, GLY109B, GLY120A, GLY120B, GLY283A, GLY283B, GLY285A, GLY285B, GLY295A, GLY295B, GLY296A, GLY296B, GLY49A, GLY49B, GLY66A, GLY66B, GLY82A, GLY82B, GLY92A, GLY92B, GLY9A, GLY9B, HIS115A, HIS115B, HIS152A, HIS152B, HIS153A, HIS153B, HIS246A, HIS246B, HIS51A, HIS51B, HIS61A, HIS61B, HIS7A, HIS7B, HIS89A, HIS89B, ILE117A, ILE117B, ILE8A, ILE8B, LEU108A, LEU108B, LEU10A, LEU10B, LEU113A, LEU113B, LEU13A, LEU13B, LEU149A, LEU149B, LEU156A, LEU156B, LEU16A, LEU16B, LEU288A, LEU288B, LEU28A, LEU28B, LEU291A, LEU291B, LEU55A, LEU55B, LEU58A, LEU58B, LEU59A, LEU59B, LEU62A, LEU62B, LEU67A, LEU67B, LEU85A, LEU85B, LEU97A, LEU97B, LYS297A, LYS297B, LYS93A, LYS93B, LYS95A, LYS95B, MET150A, MET150B, MET20A, MET20B, MET286A, MET286B, MET290A, MET290B, MET99A, MET99B, PHE110A, PHE110B, PHE294A, PHE294B, PHE68B, PHE81A, PHE81B, PRO19A, PRO19B, SER116A, SER116B, SER54A, SER54B, THR119A, THR119B, THR18A, THR18B, THR27A, THR27B, THR284A, THR284B, THR292A, THR292B, THR79B, TRP248A, TRP248B, TRP96A, TRP96B, TYR128A, TYR128B, TYR293A, TYR293B, VAL103A, VAL103B, VAL111A, VAL111B, VAL126A, VAL126B, VAL22A, VAL22B, VAL24A, VAL24B, VAL30A, VAL30B, VAL63A, VAL63B, VAL65A, VAL65B