2FVM

crystal structure of dihydropyrimidinase from saccharomyces kluyveri in complex with the reaction product n-carbamyl-beta-alanine

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 167
  • Norm. En. per Res.: -3.0403
• 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-B	-34.8218	35.3049	-486.644	-486.1609	164	13	3	18756	2	53	44
A-C	-79.6636	-1.0177	-268.471	-349.1523	140	13	11	12235	1	18	30
B-D	-62.1819	-1.8242	-275.229	-339.2351	145	18	13	12129	1	18	30
C-D	-31.9431	3.2719	-479.054	-507.7252	167	11	2	18940	4	55	49

Interface residues

• A-B: ALA185A, ALA185B, ALA188A, ALA188B, ALA212A, ALA212B, ALA236A, ALA236B, ALA240A, ALA240B, ALA244A, ALA244B, ARG147A, ARG147B, ARG228A, ARG228B, ARG239A, ARG239B, ARG292A, ARG292B, ARG335A, ARG335B, ARG388A, ARG388B, ARG537A, ARG537B, ASN202A, ASN202B, ASN238A, ASN238B, ASP179A, ASP179B, ASP181A, ASP181B, ASP204A, ASP204B, GLN176A, GLN176B, GLN216A, GLN216B, GLN260A, GLN260B, GLN267A, GLN267B, GLU145A, GLU145B, GLU211A, GLU211B, GLU214A, GLU214B, GLU215A, GLU215B, GLU233A, GLU233B, GLU235A, GLU235B, GLU263A, GLU263B, GLU535A, GLU535B, GLU541A, GLU541B, GLY203A, GLY203B, GLY217A, GLY217B, GLY225A, GLY225B, GLY234A, GLY234B, ILE177A, ILE177B, ILE182A, ILE182B, ILE210A, ILE210B, ILE231A, ILE231B, ILE241A, ILE241B, LEU213A, LEU213B, LEU218A, LEU218B, LEU243A, LEU243B, LEU273A, LEU273B, LYS141A, LYS141B, LYS207A, LYS207B, LYS271A, LYS271B, LYS539A, LYS539B, MET170A, MET170B, MET183A, MET183B, MET186A, MET186B, MET205A, MET205B, MET209A, MET209B, MET247A, MET247B, PRO142A, PRO142B, PRO229A, PRO229B, PRO336A, PRO336B, PRO538A, PRO538B, SER143A, SER143B, SER178A, SER178B, SER184A, SER184B, SER227A, SER227B, SER230A, SER230B, THR237A, THR237B, THR242A, THR242B, THR245A, THR245B, THR246A, THR246B, THR534A, THR534B, TRP208A, TRP208B, TRP532A, TRP532B, TRP536A, TRP536B, TYR180A, TYR180B, TYR187A, TYR187B, TYR222A, TYR222B, TYR223A, TYR223B, TYR540A, TYR540B, VAL144A, VAL144B, VAL206A, VAL206B, VAL226A, VAL226B, VAL232A, VAL232B, VAL264A, VAL264B, VAL533A, VAL533B
• A-C: ALA16A, ALA16C, ALA21A, ALA21C, ALA22A, ALA22C, ALA25A, ALA25C, ALA262A, ALA262C, ALA268A, ALA268C, ALA35A, ALA35C, ALA36A, ALA36C, ASN348A, ASN348C, ASN349A, ASN349C, ASN413A, ASN413C, ASN427A, ASN427C, ASP18A, ASP18C, GLN267A, GLN267C, GLN269A, GLN269C, GLN32A, GLN32C, GLU23A, GLU23C, GLU263A, GLU263C, GLU422A, GLU422C, GLU531A, GLU531C, GLY272A, GLY272C, GLY346A, GLY346C, GLY350A, GLY350C, GLY412A, GLY412C, GLY439A, GLY439C, GLY444A, GLY444C, ILE12A, ILE12C, ILE13A, ILE13C, ILE19A, ILE19C, ILE34A, ILE34C, ILE38A, ILE38C, ILE441A, ILE441C, LEU273A, LEU273C, LEU33A, LEU33C, LEU442A, LEU442C, LYS266A, LYS266C, LYS271A, LYS271C, LYS274A, LYS274C, LYS30A, LYS30C, LYS341A, LYS341C, LYS345A, LYS345C, LYS419A, LYS419C, LYS430A, LYS430C, LYS438A, LYS438C, LYS529A, LYS529C, MET417A, MET417C, MET418A, MET418C, MET525A, MET525C, PHE524A, PHE524C, PRO436A, PRO436C, PRO443A, PRO443C, SER17A, SER17C, SER342A, SER342C, SER37A, SER37C, SER416A, SER416C, SER440A, SER440C, SER446A, SER446C, THR15A, THR15C, THR270A, THR270C, THR351A, THR351C, THR415A, THR415C, THR426A, THR426C, TRP344C, TYR20A, TYR20C, TYR276A, TYR276C, TYR435A, TYR435C, TYR4A, TYR4C, VAL304C, VAL31A, VAL31C, VAL421A, VAL421C, VAL445A, VAL445C
• B-D: ALA16B, ALA16D, ALA21B, ALA21D, ALA22B, ALA22D, ALA25B, ALA25D, ALA262B, ALA262D, ALA268B, ALA268D, ALA35B, ALA35D, ALA36B, ALA36D, ASN348B, ASN348D, ASN349B, ASN349D, ASN413B, ASN413D, ASN427B, ASN427D, ASP18B, ASP18D, CYS14B, CYS14D, GLN267B, GLN267D, GLN269B, GLN269D, GLN32B, GLN32D, GLU23B, GLU23D, GLU263B, GLU263D, GLU422B, GLU422D, GLU531B, GLU531D, GLY272B, GLY272D, GLY346B, GLY346D, GLY350B, GLY350D, GLY412B, GLY412D, GLY439B, GLY439D, GLY444B, GLY444D, ILE12B, ILE12D, ILE13B, ILE13D, ILE19B, ILE19D, ILE34B, ILE34D, ILE38B, ILE38D, ILE441B, ILE441D, LEU273B, LEU273D, LEU33B, LEU33D, LEU414B, LEU414D, LEU442B, LEU442D, LYS266B, LYS266D, LYS271B, LYS271D, LYS274B, LYS274D, LYS30D, LYS341B, LYS341D, LYS345B, LYS345D, LYS419B, LYS419D, LYS430B, LYS430D, LYS438B, LYS438D, LYS529B, LYS529D, MET417B, MET417D, MET418B, MET418D, MET525B, MET525D, PHE524B, PHE524D, PRO436B, PRO436D, PRO443B, PRO443D, PRO56B, SER17B, SER17D, SER342B, SER342D, SER37B, SER37D, SER416B, SER416D, SER440B, SER440D, SER446B, SER446D, THR15B, THR15D, THR270B, THR270D, THR351B, THR351D, THR415B, THR415D, THR426B, THR426D, THR527B, THR527D, TRP344D, TYR20B, TYR20D, TYR276B, TYR276D, TYR435B, TYR435D, TYR4B, TYR4D, VAL31B, VAL31D, VAL421B, VAL421D, VAL445B, VAL445D
• C-D: ALA146C, ALA146D, ALA185C, ALA185D, ALA188C, ALA188D, ALA212C, ALA212D, ALA236C, ALA236D, ALA240C, ALA240D, ALA244C, ALA244D, ARG147C, ARG147D, ARG228C, ARG228D, ARG239C, ARG239D, ARG292C, ARG292D, ARG335C, ARG335D, ARG388D, ARG537C, ARG537D, ASN202C, ASN202D, ASN238C, ASN238D, ASP179C, ASP179D, ASP181C, ASP181D, ASP204C, ASP204D, GLN176C, GLN176D, GLN216C, GLN216D, GLN260C, GLN260D, GLN267C, GLN267D, GLU145C, GLU145D, GLU148C, GLU148D, GLU211C, GLU211D, GLU214C, GLU214D, GLU215C, GLU215D, GLU233C, GLU233D, GLU235C, GLU235D, GLU263C, GLU263D, GLU535C, GLU535D, GLU541C, GLU541D, GLY203C, GLY203D, GLY217C, GLY217D, GLY225C, GLY225D, GLY234C, GLY234D, ILE177C, ILE177D, ILE182C, ILE182D, ILE210C, ILE210D, ILE231C, ILE231D, ILE241C, ILE241D, LEU213C, LEU213D, LEU218C, LEU218D, LEU243C, LEU243D, LEU273C, LEU273D, LYS141C, LYS141D, LYS207C, LYS207D, LYS271C, LYS271D, LYS539C, LYS539D, MET170C, MET170D, MET183C, MET183D, MET186C, MET186D, MET205C, MET205D, MET209C, MET209D, MET247C, MET247D, PRO142C, PRO142D, PRO229C, PRO229D, PRO336C, PRO336D, PRO538C, PRO538D, SER143C, SER143D, SER178C, SER178D, SER184C, SER184D, SER227C, SER227D, SER230C, SER230D, SER542D, THR237C, THR242C, THR242D, THR245C, THR245D, THR246C, THR246D, THR534C, THR534D, TRP208C, TRP208D, TRP532C, TRP532D, TRP536C, TRP536D, TYR180C, TYR180D, TYR187C, TYR187D, TYR222C, TYR222D, TYR223C, TYR223D, TYR540C, TYR540D, VAL144C, VAL144D, VAL206C, VAL206D, VAL226C, VAL226D, VAL232C, VAL232D, VAL264C, VAL264D, VAL533C, VAL533D