2J5K

2.0 a resolution structure of the wild type malate dehydrogenase from haloarcula marismortui (radiation damage series)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 194
  • Norm. En. per Res.: -5.1748
• Hub Node: A(3)

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	-139.7244	-146.6675	-717.525	-1003.9168	194	32	10	24495	9	88	73
A-C	0.0	30.8709	-11.0461	19.8248	23	0	0	629	0	24	23
A-D	-57.0262	-104.2829	-166.198	-327.5071	86	26	0	7132	11	25	45
B-C	-61.166	-92.9546	-176.103	-330.2236	86	23	0	7099	11	24	46
B-D	-16.2082	28.8922	-11.4124	1.2716	24	0	0	649	0	22	23
C-D	-136.4288	-122.7271	-695.478	-954.6339	190	33	10	23886	8	88	74

Interface residues

• A-B: ALA170A, ALA170B, ALA182A, ALA182B, ALA236A, ALA236B, ALA245A, ALA245B, ALA251A, ALA251B, ALA255A, ALA255B, ALA29A, ALA29B, ALA34A, ALA34B, ALA35A, ALA35B, ALA36A, ALA36B, ALA41A, ALA41B, ALA63A, ALA63B, ALA64A, ALA64B, ALA71A, ALA71B, ARG166A, ARG166B, ARG171A, ARG171B, ARG173A, ARG173B, ARG242A, ARG242B, ARG252A, ARG252B, ARG43A, ARG43B, ARG77A, ARG77B, ARG79A, ARG79B, ASN186A, ASN186B, ASN39A, ASN39B, ASN67A, ASN67B, ASN75A, ASN75B, ASP168A, ASP168B, ASP181A, ASP181B, ASP231A, ASP231B, ASP238A, ASP238B, ASP44A, ASP44B, ASP57A, ASP57B, ASP58A, ASP58B, ASP65A, ASP65B, ASP73A, ASP73B, GLN185A, GLN185B, GLN233A, GLN233B, GLN62A, GLN62B, GLN80A, GLN80B, GLU178A, GLU178B, GLU179A, GLU188A, GLU188B, GLU234A, GLU234B, GLU241A, GLU241B, GLU247A, GLU247B, GLU267A, GLU267B, GLU56A, GLU56B, GLY165A, GLY165B, GLY189A, GLY189B, GLY244A, GLY244B, GLY249A, GLY249B, GLY253A, GLY253B, GLY30A, GLY30B, GLY33A, GLY33B, GLY37A, GLY37B, GLY61A, GLY61B, GLY69A, GLY69B, HIS256A, HIS256B, HIS68A, HIS68B, ILE191A, ILE191B, ILE240A, ILE240B, ILE70A, ILE70B, LEU167A, LEU167B, LEU176A, LEU232A, LEU232B, LEU269A, LEU269B, LEU42A, LEU42B, LYS243A, LYS243B, LYS55A, LYS55B, MET237A, MET237B, PHE172A, PHE172B, PHE180A, PHE51A, PHE51B, PRO183A, PRO183B, PRO250A, PRO250B, PRO270A, PRO270B, SER169A, SER169B, SER177A, SER177B, SER235A, SER235B, SER74A, SER74B, THR190A, THR190B, THR246A, THR246B, THR31A, THR31B, THR59A, THR59B, THR66A, THR66B, THR76A, THR76B, TRP248A, TRP248B, TRP305B, TYR174A, TYR174B, TYR38A, TYR38B, TYR72A, TYR72B, VAL175A, VAL175B, VAL184A, VAL184B, VAL187A, VAL187B, VAL239A, VAL239B, VAL268A, VAL268B, VAL32A, VAL32B, VAL60A, VAL60B, VAL78A, VAL78B
• A-C: ARG292A, ARG292C, ASN75A, ASN75C, ASP264A, ASP264C, ASP44A, ASP44C, ASP47A, ASP47C, GLU267A, GLU267C, GLY266A, GLY266C, HIS263A, HIS263C, ILE45A, ILE45C, SER295A, THR22A, THR22C, THR265A, THR265C
• A-D: ALA182A, ALA182D, ARG173A, ARG173D, ARG207A, ARG207D, ARG292A, ARG292D, ASN186A, ASN186D, ASP181A, ASP181D, ASP209A, ASP209D, ASP211A, ASP211D, ASP264A, ASP264D, ASP306A, ASP306D, GLN185A, GLN185D, GLU188A, GLU188D, GLU219A, GLU219D, GLU267A, GLU267D, GLU299A, GLU299D, GLU301A, GLU301D, GLU304A, GLU304D, GLY189A, GLY189D, GLY210A, GLY210D, GLY266A, GLY266D, ILE302A, LEU269A, LEU269D, LEU293A, LEU293D, LEU307A, LEU307D, LYS205A, LYS205D, PHE180A, PHE180D, PHE203A, PHE203D, PHE279A, PHE279D, PRO183A, PRO183D, PRO212A, PRO212D, PRO290A, PRO290D, SER204A, SER204D, THR190A, THR190D, THR210A, THR210D, THR265A, THR265D, TRP305A, TRP305D, VAL184A, VAL184D, VAL187D, VAL202A, VAL202D, VAL206A, VAL206D, VAL208A, VAL208D, VAL268A, VAL268D, VAL291A, VAL291D, VAL303A, VAL303D
• B-C: ALA182B, ALA182C, ARG173B, ARG173C, ARG207B, ARG207C, ARG292B, ARG292C, ASN186B, ASN186C, ASP181B, ASP181C, ASP209B, ASP209C, ASP211B, ASP211C, ASP264B, ASP264C, ASP306B, ASP306C, GLN185B, GLN185C, GLU188B, GLU188C, GLU219B, GLU219C, GLU267B, GLU267C, GLU299B, GLU299C, GLU301B, GLU301C, GLU304B, GLU304C, GLY189B, GLY189C, GLY210B, GLY210C, GLY266B, GLY266C, LEU269B, LEU269C, LEU293B, LEU293C, LEU307B, LEU307C, LYS205B, LYS205C, PHE180B, PHE180C, PHE203B, PHE203C, PHE279B, PHE279C, PRO183B, PRO183C, PRO212B, PRO212C, PRO290B, PRO290C, SER204B, SER204C, THR190B, THR190C, THR210B, THR210C, THR265B, THR265C, TRP305B, TRP305C, VAL184B, VAL184C, VAL187B, VAL187C, VAL202B, VAL202C, VAL206B, VAL206C, VAL208B, VAL208C, VAL268B, VAL268C, VAL291B, VAL291C, VAL303B, VAL303C
• B-D: ARG292B, ARG292D, ASN75B, ASN75D, ASP264B, ASP264D, ASP44B, ASP44D, ASP47B, ASP47D, GLU267B, GLU267D, GLY266B, GLY266D, HIS263B, HIS263D, ILE45B, ILE45D, LEU262D, SER295D, THR22B, THR22D, THR265B, THR265D
• C-D: ALA170C, ALA170D, ALA182C, ALA182D, ALA236C, ALA236D, ALA245C, ALA245D, ALA251C, ALA251D, ALA255C, ALA255D, ALA29C, ALA29D, ALA34C, ALA34D, ALA35C, ALA35D, ALA36C, ALA36D, ALA41D, ALA63C, ALA63D, ALA64C, ALA64D, ALA71C, ALA71D, ARG166C, ARG166D, ARG171C, ARG171D, ARG173C, ARG173D, ARG242C, ARG242D, ARG252C, ARG252D, ARG43C, ARG43D, ARG77C, ARG77D, ARG79C, ARG79D, ASN186C, ASN186D, ASN39C, ASN39D, ASN67C, ASN67D, ASN75C, ASN75D, ASP168C, ASP168D, ASP181C, ASP181D, ASP231C, ASP231D, ASP238C, ASP238D, ASP44C, ASP44D, ASP57C, ASP57D, ASP58C, ASP58D, ASP65C, ASP65D, ASP73C, ASP73D, GLN185C, GLN185D, GLN233C, GLN233D, GLN62C, GLN62D, GLN80D, GLU178C, GLU178D, GLU188C, GLU188D, GLU234C, GLU234D, GLU241C, GLU241D, GLU247C, GLU247D, GLU267C, GLU267D, GLU56C, GLU56D, GLY165C, GLY165D, GLY189C, GLY189D, GLY244C, GLY244D, GLY249C, GLY249D, GLY253C, GLY253D, GLY30C, GLY30D, GLY33C, GLY33D, GLY37C, GLY37D, GLY61C, GLY61D, GLY69C, GLY69D, HIS256C, HIS256D, HIS68C, HIS68D, ILE191C, ILE191D, ILE240C, ILE240D, ILE70C, ILE70D, LEU167C, LEU167D, LEU232C, LEU232D, LEU269C, LEU269D, LEU42C, LEU42D, LYS243C, LYS243D, LYS55C, LYS55D, MET237C, MET237D, PHE163D, PHE172C, PHE172D, PHE51C, PHE51D, PRO183C, PRO183D, PRO250C, PRO250D, PRO270C, PRO270D, SER169C, SER169D, SER177C, SER177D, SER235C, SER235D, SER74C, SER74D, THR190C, THR190D, THR246C, THR246D, THR31C, THR31D, THR59C, THR59D, THR66C, THR66D, THR76C, THR76D, TRP248C, TRP248D, TRP305C, TYR174C, TYR174D, TYR38C, TYR38D, TYR72C, TYR72D, VAL175C, VAL175D, VAL184C, VAL184D, VAL187C, VAL187D, VAL239C, VAL239D, VAL268C, VAL268D, VAL32C, VAL32D, VAL60C, VAL60D, VAL78C, VAL78D