1T2F

human b lactate dehydrogenase complexed with nad+ and 4- hydroxy-1,2,5-oxadiazole-3-carboxylic acid

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 137
  • Norm. En. per Res.: -3.3602
• 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	-67.8347	-45.0581	-654.162	-767.0548	238	31	20	28687	5	59	55
A-C	-62.4669	-84.4727	-313.403	-460.3426	137	23	10	13908	4	38	21
A-D	-19.2724	2.9706	-210.07	-226.3718	106	12	13	9861	1	9	23
B-C	-26.7825	2.129	-205.576	-230.2294	100	7	11	9487	1	8	19
B-D	-100.0235	-16.7884	-328.736	-445.5479	139	24	11	14419	0	39	18
C-D	-61.5393	-49.8162	-636.027	-747.3826	237	18	19	28169	6	60	53

Interface residues

• A-B: ALA168A, ALA168B, ALA175A, ALA175B, ALA1A, ALA1B, ALA207A, ALA207B, ALA238A, ALA238B, ALA251A, ALA251B, ALA257A, ALA257B, ALA34A, ALA34B, ALA36A, ALA36B, ARG169A, ARG169B, ARG171A, ARG171B, ARG269A, ARG269B, ASN164A, ASN164B, ASN205A, ASN205B, ASN215A, ASN215B, ASN226A, ASN226B, ASN249A, ASN249B, ASP166A, ASP166B, ASP223B, ASP258A, ASP258B, ASP56A, ASP56B, ASP64A, ASP64B, CYS163A, CYS185A, CYS185B, CYS35A, CYS35B, GLN212A, GLN212B, GLN30A, GLN30B, GLN66A, GLN66B, GLN73A, GLN73B, GLU15B, GLU176A, GLU176B, GLU213A, GLU217A, GLU225A, GLU225B, GLU236A, GLU236B, GLU240A, GLU240B, GLU261A, GLU55A, GLU55B, GLU5A, GLU5B, GLU61A, GLU61B, GLY179A, GLY179B, GLY187A, GLY208A, GLY246A, GLY246B, GLY253A, GLY253B, GLY29A, GLY29B, GLY32A, GLY32B, GLY41A, GLY41B, GLY60A, GLY60B, GLY68A, GLY68B, HIS181A, HIS181B, HIS186A, HIS186B, HIS271A, HIS271B, HIS67A, HIS67B, ILE180A, ILE180B, ILE242A, ILE242B, ILE252A, ILE252B, ILE37A, ILE37B, ILE77A, ILE77B, ILE8A, ILE8B, LEU165A, LEU165B, LEU173A, LEU173B, LEU178A, LEU178B, LEU211A, LEU211B, LEU214A, LEU214B, LEU244A, LEU244B, LEU254A, LEU254B, LEU259A, LEU259B, LEU3A, LEU3B, LEU40A, LEU40B, LEU50A, LEU50B, LEU54A, LEU54B, LEU58A, LEU58B, LEU65A, LEU65B, LEU70A, LEU70B, LEU72A, LEU72B, LEU7A, LEU7B, LYS177A, LYS177B, LYS243A, LYS243B, LYS245A, LYS245B, LYS42A, LYS42B, LYS4A, LYS4B, LYS57A, LYS57B, LYS59A, LYS59B, LYS6A, LYS6B, LYS76A, LYS76B, MET174A, MET174B, MET218A, MET218B, MET233A, MET233B, MET33A, MET33B, MET62A, MET62B, MET63A, MET63B, PHE170A, PHE170B, PHE71A, PHE71B, PRO182A, PRO182B, PRO216A, PRO272A, PRO272B, PRO75A, PRO75B, SER167A, SER167B, SER183A, SER183B, SER184A, SER184B, SER210A, SER210B, SER224A, SER224B, SER237A, SER237B, SER255A, SER255B, SER38A, SER38B, SER69A, SER69B, THR248A, THR248B, THR2A, THR2B, THR74A, THR74B, TRP188A, TRP227A, TRP227B, TRP250A, TRP250B, TYR172A, TYR172B, TYR239A, TYR247A, TYR247B, VAL204A, VAL204B, VAL206A, VAL206B, VAL209A, VAL209B, VAL234A, VAL234B, VAL241A, VAL241B, VAL256A, VAL256B, VAL28A, VAL28B, VAL31A, VAL31B, VAL78B
• A-C: ALA12A, ALA12C, ALA16A, ALA16C, ALA297A, ALA297C, ALA45A, ALA45C, ALA9A, ALA9C, ARG157A, ARG157C, ARG269A, ARG269C, ARG298A, ARG298C, ASN20A, ASN20C, ASN21A, ASN21C, ASN266A, ASN266C, ASN296A, ASN296C, ASN305A, ASN305C, ASP46A, ASP46C, CYS293A, CYS293C, GLN306A, GLN306C, GLN73A, GLN73C, GLU13A, GLU13C, GLU14A, GLU14C, GLU15A, GLU15C, GLU261A, GLU261C, GLU47A, GLU47C, GLU5A, GLU5C, GLY299A, GLY299C, HIS156A, HIS156C, ILE159A, ILE270A, ILE270C, ILE294A, ILE294C, ILE304A, ILE304C, ILE8A, ILE8C, LEU264A, LEU264C, LEU267A, LEU267C, LEU291A, LEU291C, LEU300A, LEU300C, LEU3A, LEU3C, LEU44A, LEU44C, LEU70A, LEU70C, LEU72A, LEU72C, LEU7A, LEU7C, LYS155A, LYS155C, LYS265A, LYS265C, LYS307A, LYS307C, LYS42A, LYS42C, LYS4A, LYS4C, LYS6A, LYS6C, LYS76A, LYS76C, LYS90A, LYS90C, MET263A, MET276A, MET276C, MET280A, MET280C, PHE288C, PRO10A, PRO10C, PRO154A, PRO154C, PRO19A, PRO19C, PRO292A, PRO292C, PRO75A, PRO75C, SER262A, SER262C, SER268A, SER268C, SER302A, SER302C, SER43A, SER43C, SER69A, SER69C, THR17A, THR17C, THR275A, THR275C, THR301A, THR301C, THR74A, THR74C, VAL11A, VAL11C, VAL158A, VAL158C, VAL18A, VAL18C, VAL277A, VAL277C, VAL303A, VAL303C
• A-D: ALA175A, ALA207A, ALA207D, ARG171A, ARG171D, ARG269A, ARG269D, ASN205A, ASN205D, ASN215A, ASN215D, ASN266A, ASN266D, ASN296A, ASN296D, ASN305A, ASN305D, CYS185A, CYS185D, CYS293A, CYS293D, GLN212A, GLN212D, GLN306A, GLN306D, GLU213A, GLU213D, GLY179A, GLY179D, GLY187A, GLY187D, GLY203A, GLY203D, GLY208A, GLY208D, HIS181A, HIS181D, HIS186A, HIS186D, HIS271A, HIS271D, ILE180A, ILE180D, ILE270A, ILE270D, ILE294A, ILE294D, ILE304A, ILE304D, LEU178A, LEU178D, LEU190A, LEU190D, LEU211A, LEU211D, LEU214A, LEU214D, LEU267A, LEU267D, LEU291A, LEU291D, LEU295A, LEU295D, LEU308A, LEU308D, LYS265D, LYS307A, LYS307D, LYS309A, LYS309D, PRO182A, PRO182D, PRO216A, PRO216D, PRO272A, PRO272D, PRO292A, PRO292D, SER183A, SER183D, SER184A, SER184D, SER202A, SER202D, SER210A, SER210D, SER262A, SER262D, SER268A, SER268D, SER302A, SER302D, THR301A, THR301D, TRP188A, TRP188D, TYR281A, TYR281D, VAL200A, VAL200D, VAL204A, VAL204D, VAL206A, VAL206D, VAL209A, VAL209D
• B-C: ALA175B, ALA175C, ALA207B, ALA207C, ARG171B, ARG171C, ARG269B, ARG269C, ASN205B, ASN205C, ASN266B, ASN266C, ASN296B, ASN296C, ASN305B, ASN305C, CYS185B, CYS185C, CYS293B, CYS293C, GLN212B, GLN306B, GLN306C, GLU213B, GLU213C, GLY179B, GLY179C, GLY187B, GLY187C, GLY203B, GLY203C, GLY208B, GLY208C, HIS181B, HIS181C, HIS186B, HIS186C, HIS271B, HIS271C, ILE180B, ILE180C, ILE270B, ILE270C, ILE294B, ILE294C, ILE304B, ILE304C, LEU178B, LEU178C, LEU190B, LEU190C, LEU211B, LEU211C, LEU214B, LEU214C, LEU267B, LEU267C, LEU291B, LEU291C, LEU295B, LEU295C, LEU308B, LEU308C, LYS265C, LYS307B, LYS307C, LYS309B, LYS309C, PRO182B, PRO182C, PRO272B, PRO272C, PRO292B, PRO292C, SER183B, SER183C, SER184B, SER184C, SER202B, SER202C, SER210B, SER210C, SER262B, SER262C, SER268B, SER268C, SER302B, SER302C, THR301C, TRP188B, TRP188C, TRP201C, VAL200B, VAL200C, VAL204B, VAL204C, VAL206B, VAL206C, VAL209B, VAL209C
• B-D: ALA12B, ALA12D, ALA16B, ALA16D, ALA297B, ALA297D, ALA45B, ALA45D, ALA9B, ALA9D, ARG157B, ARG157D, ARG269B, ARG269D, ARG298B, ARG298D, ASN20B, ASN20D, ASN21B, ASN21D, ASN266B, ASN266D, ASN296B, ASN296D, ASN305B, ASN305D, ASP258D, ASP46B, ASP46D, CYS293B, CYS293D, GLN306B, GLN306D, GLN73B, GLN73D, GLU13B, GLU13D, GLU14B, GLU14D, GLU15B, GLU15D, GLU261B, GLU261D, GLU47B, GLU47D, GLU5B, GLU5D, GLY279B, GLY299B, GLY299D, HIS156B, HIS156D, ILE159B, ILE159D, ILE270B, ILE270D, ILE294B, ILE294D, ILE304B, ILE304D, ILE8B, ILE8D, LEU264B, LEU264D, LEU267B, LEU267D, LEU291B, LEU291D, LEU300B, LEU300D, LEU3B, LEU3D, LEU44B, LEU44D, LEU70B, LEU70D, LEU72B, LEU72D, LEU7B, LEU7D, LYS155B, LYS155D, LYS265B, LYS265D, LYS307B, LYS307D, LYS42B, LYS42D, LYS4B, LYS4D, LYS6B, LYS6D, LYS76B, LYS76D, LYS90B, LYS90D, MET263D, MET276B, MET276D, MET280B, MET280D, PHE288B, PRO10B, PRO10D, PRO154B, PRO154D, PRO19B, PRO19D, PRO292B, PRO292D, PRO75B, PRO75D, SER262B, SER262D, SER268B, SER268D, SER302B, SER302D, SER43B, SER43D, SER69D, THR17B, THR17D, THR275B, THR275D, THR301B, THR301D, THR74B, THR74D, VAL11B, VAL11D, VAL158B, VAL158D, VAL18B, VAL18D, VAL277B, VAL277D, VAL303B, VAL303D
• C-D: ALA168C, ALA168D, ALA175C, ALA175D, ALA1C, ALA1D, ALA207C, ALA207D, ALA238C, ALA238D, ALA251C, ALA251D, ALA257C, ALA257D, ALA34C, ALA34D, ALA36C, ALA36D, ARG169C, ARG169D, ARG171C, ARG171D, ARG269C, ARG269D, ASN164C, ASN164D, ASN205C, ASN205D, ASN215C, ASN215D, ASN226C, ASN226D, ASN249C, ASN249D, ASP166C, ASP166D, ASP258C, ASP258D, ASP56C, ASP56D, ASP64C, ASP64D, CYS163C, CYS185C, CYS185D, CYS35C, CYS35D, GLN212D, GLN30C, GLN30D, GLN66C, GLN66D, GLN73C, GLN73D, GLU15D, GLU176C, GLU176D, GLU213D, GLU217C, GLU225C, GLU225D, GLU236C, GLU236D, GLU240C, GLU240D, GLU261D, GLU55C, GLU55D, GLU5C, GLU5D, GLU61C, GLU61D, GLY179C, GLY179D, GLY187D, GLY208C, GLY208D, GLY246C, GLY246D, GLY253C, GLY253D, GLY29C, GLY29D, GLY32C, GLY32D, GLY41C, GLY41D, GLY60C, GLY60D, GLY68C, GLY68D, HIS181C, HIS181D, HIS186C, HIS186D, HIS271C, HIS271D, HIS67C, HIS67D, ILE180C, ILE180D, ILE242C, ILE242D, ILE252C, ILE252D, ILE37C, ILE37D, ILE77C, ILE77D, ILE8C, ILE8D, LEU165C, LEU165D, LEU173C, LEU173D, LEU178C, LEU178D, LEU211C, LEU211D, LEU214C, LEU214D, LEU244C, LEU244D, LEU254C, LEU254D, LEU259C, LEU259D, LEU3C, LEU3D, LEU40C, LEU40D, LEU50C, LEU54C, LEU54D, LEU58C, LEU58D, LEU65C, LEU65D, LEU70C, LEU70D, LEU72C, LEU72D, LEU7C, LEU7D, LYS177C, LYS177D, LYS243C, LYS243D, LYS245C, LYS245D, LYS42C, LYS42D, LYS4C, LYS4D, LYS57C, LYS57D, LYS59C, LYS59D, LYS6C, LYS6D, LYS76C, LYS76D, MET174C, MET174D, MET218C, MET218D, MET233C, MET233D, MET33C, MET33D, MET62C, MET62D, MET63C, MET63D, PHE170C, PHE170D, PHE71C, PHE71D, PRO182C, PRO182D, PRO216C, PRO216D, PRO272C, PRO272D, PRO75C, PRO75D, SER167C, SER167D, SER183C, SER183D, SER184C, SER184D, SER210C, SER210D, SER224C, SER224D, SER237C, SER237D, SER255C, SER255D, SER38C, SER38D, SER69C, SER69D, THR248C, THR248D, THR2C, THR2D, THR74C, THR74D, TRP227C, TRP227D, TRP250C, TRP250D, TYR172C, TYR172D, TYR239C, TYR239D, TYR247C, TYR247D, VAL204C, VAL204D, VAL206C, VAL206D, VAL209C, VAL209D, VAL234C, VAL234D, VAL241C, VAL241D, VAL256C, VAL256D, VAL28C, VAL28D, VAL31C, VAL78C, VAL78D