3V8H

crystal structure of thymidylate synthase from burkholderia thailandensis

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 265
  • Norm. En. per Res.: -3.3767
• Hub Node: A(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-C	-15.4854	-3.1073	-56.6043	-75.197	24	1	0	2307	1	8	11
A-D	-99.7373	-15.9113	-779.164	-894.8126	265	18	18	29558	6	65	57
B-C	-104.0946	-20.6654	-782.73	-907.4899	272	29	18	30216	6	66	64

Interface residues

• A-C: ARG21C, ARG25C, ARG312A, ASN20C, ASN259C, GLN260C, GLU258C, GLY23C, GLY310A, HIS313A, HIS314A, ILE24C, LEU308A, LYS49A, LYS53A, PHE273A, SER19C, THR22C, THR307A, THR46A, TRP17C, TYR257C, TYR311A, VAL309A
• A-D: ALA123A, ALA123D, ALA125A, ALA125D, ALA128A, ALA128D, ALA130A, ALA130D, ALA139A, ALA139D, ALA182A, ALA182D, ALA188A, ALA188D, ALA191A, ALA191D, ALA254A, ALA254D, ALA32A, ALA32D, ALA92A, ALA92D, ARG133A, ARG133D, ARG140A, ARG140D, ARG172A, ARG172D, ARG173A, ARG173D, ARG204A, ARG204D, ARG205A, ARG205D, ARG214A, ARG214D, ARG245A, ARG245D, ARG25A, ARG25D, ARG35A, ARG35D, ARG67A, ARG67D, ARG96A, ARG96D, ARG97A, ARG97D, ASN180A, ASN180D, ASN201A, ASN201D, ASN20A, ASN216A, ASN216D, ASN83A, ASN83D, ASN87A, ASN87D, ASN93A, ASN93D, ASP120A, ASP120D, ASP124A, ASP124D, ASP129A, ASP129D, ASP156A, ASP156D, ASP160A, ASP160D, ASP168D, ASP185A, ASP185D, ASP217A, ASP217D, ASP253A, ASP253D, CYS161A, CYS161D, CYS192A, CYS192D, CYS210A, CYS210D, GLN109A, GLN109D, GLN126A, GLN126D, GLN157A, GLN157D, GLN18A, GLN18D, GLN197A, GLN197D, GLN89A, GLN89D, GLU142A, GLU142D, GLU143A, GLU143D, GLU186A, GLU186D, GLU203A, GLU203D, GLU206A, GLU206D, GLY115A, GLY115D, GLY144A, GLY144D, GLY15A, GLY15D, GLY178A, GLY178D, GLY252A, GLY252D, GLY28A, GLY28D, GLY31A, GLY31D, HIS152A, HIS152D, HIS177A, HIS177D, HIS255A, HIS255D, ILE11A, ILE11D, ILE127A, ILE127D, ILE137A, ILE137D, ILE155A, ILE155D, ILE174A, ILE174D, ILE187A, ILE187D, ILE207A, ILE207D, ILE213A, ILE213D, ILE24A, ILE251A, ILE251D, ILE256A, ILE256D, ILE27A, ILE27D, ILE29A, ILE29D, LEU119A, LEU119D, LEU150A, LEU150D, LEU151A, LEU151D, LEU175A, LEU175D, LEU184A, LEU184D, LEU189A, LEU189D, LEU194A, LEU194D, LEU195A, LEU195D, LEU199A, LEU199D, LEU209A, LEU209D, LEU211A, LEU211D, LEU34A, LEU34D, LEU7A, LEU7D, LYS117A, LYS117D, LYS148A, LYS148D, LYS153A, LYS153D, MET33A, MET33D, PHE135A, PHE135D, PHE141A, PHE141D, PHE176A, PHE176D, PHE198A, PHE198D, PHE247A, PHE247D, PHE250A, PHE250D, PRO114A, PRO114D, PRO169D, PRO181A, PRO181D, PRO190A, PRO190D, PRO200A, PRO200D, PRO30A, PRO30D, PRO94A, PRO94D, SER132A, SER170A, SER170D, SER171A, SER171D, SER19A, SER208A, SER208D, SER215A, SER215D, THR10A, THR10D, THR131A, THR131D, THR14A, THR14D, THR16A, THR16D, THR248A, THR248D, THR26A, THR26D, TRP110A, TRP110D, TRP113A, TRP113D, TRP179A, TRP179D, TRP17A, TRP17D, TRP246A, TRP246D, TYR116A, TYR116D, TYR196A, TYR196D, TYR212A, TYR212D, TYR242D, TYR249A, TYR249D, TYR257A, TYR257D, TYR95A, TYR95D, VAL118A, VAL118D, VAL138A, VAL138D, VAL149A, VAL149D, VAL183A, VAL183D, VAL202A, VAL202D
• B-C: ALA123B, ALA123C, ALA125B, ALA125C, ALA128B, ALA128C, ALA130B, ALA130C, ALA139B, ALA139C, ALA182B, ALA182C, ALA188B, ALA188C, ALA191B, ALA191C, ALA254B, ALA254C, ALA32B, ALA32C, ALA92B, ALA92C, ARG133B, ARG133C, ARG136C, ARG140B, ARG140C, ARG172B, ARG172C, ARG173B, ARG173C, ARG204B, ARG204C, ARG205C, ARG214B, ARG214C, ARG21C, ARG245B, ARG245C, ARG25B, ARG25C, ARG35B, ARG35C, ARG67B, ARG67C, ARG96B, ARG96C, ARG97B, ARG97C, ASN180B, ASN180C, ASN201B, ASN201C, ASN20B, ASN20C, ASN216B, ASN216C, ASN83B, ASN83C, ASN87B, ASN87C, ASN93B, ASN93C, ASP120B, ASP120C, ASP124B, ASP124C, ASP129B, ASP129C, ASP156B, ASP156C, ASP160B, ASP160C, ASP168B, ASP168C, ASP185B, ASP185C, ASP217B, ASP217C, ASP253B, ASP253C, CYS161B, CYS192B, CYS192C, CYS210B, CYS210C, GLN109B, GLN109C, GLN126B, GLN126C, GLN157B, GLN157C, GLN18B, GLN18C, GLN197B, GLN197C, GLN89B, GLN89C, GLU142B, GLU142C, GLU143B, GLU143C, GLU186B, GLU186C, GLU203B, GLU203C, GLU206B, GLU206C, GLU258B, GLU258C, GLY115B, GLY115C, GLY144B, GLY144C, GLY15B, GLY15C, GLY178B, GLY178C, GLY252B, GLY252C, GLY28B, GLY28C, GLY31B, GLY31C, HIS152B, HIS152C, HIS177B, HIS177C, HIS255B, HIS255C, ILE11B, ILE11C, ILE127B, ILE127C, ILE137B, ILE137C, ILE155B, ILE155C, ILE174B, ILE174C, ILE187B, ILE187C, ILE207B, ILE207C, ILE213B, ILE213C, ILE24B, ILE24C, ILE251B, ILE251C, ILE256B, ILE256C, ILE27B, ILE27C, ILE29B, ILE29C, LEU119B, LEU119C, LEU150B, LEU150C, LEU151B, LEU151C, LEU175B, LEU175C, LEU184B, LEU184C, LEU189B, LEU189C, LEU194B, LEU194C, LEU195B, LEU195C, LEU199B, LEU199C, LEU209B, LEU209C, LEU211B, LEU211C, LEU34B, LEU34C, LEU7B, LEU7C, LYS117B, LYS117C, LYS148B, LYS148C, LYS153B, LYS153C, MET33B, MET33C, PHE135B, PHE135C, PHE141B, PHE141C, PHE176B, PHE176C, PHE198B, PHE198C, PHE247B, PHE247C, PHE250B, PHE250C, PRO114B, PRO114C, PRO169C, PRO181B, PRO181C, PRO190B, PRO190C, PRO200B, PRO200C, PRO30B, PRO30C, PRO94B, PRO94C, SER132B, SER170B, SER170C, SER171B, SER171C, SER19B, SER19C, SER208B, SER208C, SER215B, SER215C, THR10B, THR10C, THR131B, THR131C, THR14B, THR14C, THR16B, THR16C, THR22C, THR248B, THR248C, THR26B, THR26C, TRP110B, TRP110C, TRP113B, TRP113C, TRP179B, TRP179C, TRP17B, TRP17C, TRP246B, TRP246C, TYR116B, TYR116C, TYR196B, TYR196C, TYR212B, TYR212C, TYR242C, TYR249B, TYR249C, TYR257B, TYR257C, TYR95B, TYR95C, VAL118B, VAL118C, VAL138B, VAL138C, VAL149B, VAL149C, VAL183B, VAL183C, VAL202B, VAL202C