2LDB

structure determination and refinement of bacillus stearothermophilus lactate dehydrogenase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 186
  • Norm. En. per Res.: -3.5263
• 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	-66.1148	-43.9598	-109.052	-219.1266	74	26	0	4888	4	24	26
A-C	-49.1169	-46.4068	-560.362	-655.8857	186	50	11	24327	4	42	42
A-D	-26.5281	-26.3304	-254.027	-306.8855	104	20	17	10200	0	12	5
B-C	-26.5281	-26.3304	-254.027	-306.8855	104	20	17	10200	0	12	5
B-D	-49.1169	-46.4068	-560.362	-655.8857	186	50	11	24327	4	42	42
C-D	-66.1148	-43.9598	-109.052	-219.1266	74	26	0	4888	4	24	26

Interface residues

• A-B: ALA21A, ALA21B, ALA261A, ALA261B, ALA268A, ALA268B, ALA72A, ALA72B, ARG157A, ARG157B, ARG257A, ARG257B, ARG260A, ARG260B, ARG295A, ARG295B, ARG299A, ARG299B, ASN17A, ASN17B, ASN18A, ASN18B, ASN265A, ASN265B, ASN267A, ASN267B, ASN294A, ASN294B, ASN296A, ASN296B, ASP46A, ASP46B, ASP90A, ASP90B, GLU266A, GLU266B, GLU47A, GLU47B, GLY19A, GLY19B, GLY20A, GLY20B, GLY297A, GLY297B, GLY43A, GLY43B, HIS264A, HIS264B, ILE262A, ILE262B, ILE269A, ILE269B, ILE293A, ILE293B, LEU132A, LEU132B, LEU263A, LEU263B, LEU270A, LEU270B, LYS16A, LYS16B, LYS74A, LYS74B, MET15A, MET15B, PRO73A, PRO73B, PRO75A, PRO75B, VAL292A, VAL292B, VAL76A, VAL76B
• A-C: ALA168A, ALA168C, ALA181A, ALA181C, ALA236A, ALA236C, ALA237A, ALA237C, ALA246A, ALA246C, ALA252A, ALA252C, ALA256A, ALA256C, ALA28A, ALA28C, ALA33A, ALA33C, ALA38A, ALA38C, ALA58A, ALA58C, ALA62A, ALA62C, ALA72A, ALA72C, ARG169A, ARG169C, ARG171A, ARG171C, ARG257A, ARG257C, ARG260A, ARG260C, ASN17A, ASN17C, ASN184A, ASN184C, ASN232A, ASN232C, ASN41A, ASN41C, ASN54A, ASN54C, ASN66A, ASN66C, ASP166A, ASP166C, ASP235A, ASP235C, ASP61A, ASP61C, ASP64A, ASP64C, ASP77A, ASP77C, GLN183A, GLN183C, GLN239A, GLN239C, GLN42A, GLN42C, GLU176A, GLU176C, GLU242A, GLU242C, GLU55A, GLU55C, GLY175A, GLY175C, GLY245A, GLY245C, GLY250A, GLY250C, GLY254A, GLY254C, GLY29A, GLY29C, GLY32A, GLY32C, GLY43A, GLY43C, GLY60A, GLY60C, GLY68A, GLY68C, HIS67A, HIS67C, ILE164A, ILE164C, ILE240A, ILE240C, ILE241A, ILE241C, ILE251A, ILE251C, ILE44A, ILE44C, ILE59A, ILE59C, LEU165A, LEU165C, LEU173A, LEU173C, LEU255A, LEU255C, LEU270A, LEU270C, LEU39A, LEU39C, LEU50A, LEU50C, LYS243A, LYS243C, LYS244A, LYS244C, LYS57A, LYS57C, LYS69A, LYS69C, LYS74A, LYS74C, MET253A, MET253C, MET40A, MET40C, MET63A, MET63C, PHE170A, PHE170C, PHE172A, PHE172C, PHE30A, PHE30C, PHE37A, PHE37C, PHE65A, PHE65C, PHE71A, PHE71C, PRO182A, PRO182C, PRO73A, PRO73C, PRO75A, PRO75C, SER179A, SER179C, SER34A, SER34C, SER56A, SER56C, THR163A, THR163C, THR167A, THR167C, THR247A, THR247C, THR271A, THR271C, TRP79A, TRP79C, TYR238A, TYR238C, TYR248A, TYR248C, TYR249A, TYR249C, TYR35A, TYR35C, VAL180A, VAL180C, VAL185A, VAL185C, VAL233A, VAL233C, VAL258A, VAL258C, VAL31A, VAL31C, VAL36A, VAL36C, VAL70A, VAL70C, VAL76A, VAL76C
• A-D: ALA181A, ALA181D, ALA187A, ALA187D, ALA204A, ALA204D, ALA268A, ALA268D, ALA291A, ALA291D, ARG171A, ARG171D, ARG212A, ARG212D, ARG257A, ARG257D, ARG260A, ARG260D, ARG299A, ARG299D, ASN184A, ASN184D, ASN265A, ASN265D, ASN267A, ASN267D, ASN294A, ASN294D, GLN183A, GLN183D, GLN203A, GLN203D, GLU176A, GLU176D, GLU266A, GLU266D, GLU300A, GLU300D, GLU303A, GLU303D, GLU305A, GLU305D, GLY175A, GLY175D, GLY207A, GLY207D, HIS186A, HIS186D, ILE190A, ILE190D, ILE206A, ILE206D, ILE211D, ILE269A, ILE269D, ILE293A, ILE293D, ILE302A, ILE302D, ILE304A, ILE304D, LEU270A, LEU270D, LEU306A, LEU306D, LYS213A, LYS213D, MET209A, MET209D, PHE178A, PHE178D, PRO182A, PRO182D, PRO210A, PRO210D, PRO290A, PRO290D, PRO73A, PRO73D, SER179A, SER179D, SER202A, SER202D, THR271A, THR271D, TRP201A, TRP201D, TYR177A, TYR177D, TYR188A, TYR188D, TYR205A, TYR205D, TYR280D, VAL180A, VAL180D, VAL185A, VAL185D, VAL200A, VAL200D, VAL208A, VAL208D, VAL292A, VAL292D
• B-C: ALA181B, ALA181C, ALA187B, ALA187C, ALA204B, ALA204C, ALA268B, ALA268C, ALA291B, ALA291C, ARG171B, ARG171C, ARG212B, ARG212C, ARG257B, ARG257C, ARG260B, ARG260C, ARG299B, ARG299C, ASN184B, ASN184C, ASN265B, ASN265C, ASN267B, ASN267C, ASN294B, ASN294C, GLN183B, GLN183C, GLN203B, GLN203C, GLU176B, GLU176C, GLU266B, GLU266C, GLU300B, GLU300C, GLU303B, GLU303C, GLU305B, GLU305C, GLY175B, GLY175C, GLY207B, GLY207C, HIS186B, HIS186C, ILE190B, ILE190C, ILE206B, ILE206C, ILE211C, ILE269B, ILE269C, ILE293B, ILE293C, ILE302B, ILE302C, ILE304B, ILE304C, LEU270B, LEU270C, LEU306B, LEU306C, LYS213B, LYS213C, MET209B, MET209C, PHE178B, PHE178C, PRO182B, PRO182C, PRO210B, PRO210C, PRO290B, PRO290C, PRO73B, PRO73C, SER179B, SER179C, SER202B, SER202C, THR271B, THR271C, TRP201B, TRP201C, TYR177B, TYR177C, TYR188B, TYR188C, TYR205B, TYR205C, TYR280C, VAL180B, VAL180C, VAL185B, VAL185C, VAL200B, VAL200C, VAL208B, VAL208C, VAL292B, VAL292C
• B-D: ALA168B, ALA168D, ALA181B, ALA181D, ALA236B, ALA236D, ALA237B, ALA237D, ALA246B, ALA246D, ALA252B, ALA252D, ALA256B, ALA256D, ALA28B, ALA28D, ALA33B, ALA33D, ALA38B, ALA38D, ALA58B, ALA58D, ALA62B, ALA62D, ALA72B, ALA72D, ARG169B, ARG169D, ARG171B, ARG171D, ARG257B, ARG257D, ARG260B, ARG260D, ASN17B, ASN17D, ASN184B, ASN184D, ASN232B, ASN232D, ASN41B, ASN41D, ASN54B, ASN54D, ASN66B, ASN66D, ASP166B, ASP166D, ASP235B, ASP235D, ASP61B, ASP61D, ASP64B, ASP64D, ASP77B, ASP77D, GLN183B, GLN183D, GLN239B, GLN239D, GLN42B, GLN42D, GLU176B, GLU176D, GLU242B, GLU242D, GLU55B, GLU55D, GLY175B, GLY175D, GLY245B, GLY245D, GLY250B, GLY250D, GLY254B, GLY254D, GLY29B, GLY29D, GLY32B, GLY32D, GLY43B, GLY43D, GLY60B, GLY60D, GLY68B, GLY68D, HIS67B, HIS67D, ILE164B, ILE164D, ILE240B, ILE240D, ILE241B, ILE241D, ILE251B, ILE251D, ILE44B, ILE44D, ILE59B, ILE59D, LEU165B, LEU165D, LEU173B, LEU173D, LEU255B, LEU255D, LEU270B, LEU270D, LEU39B, LEU39D, LEU50B, LEU50D, LYS243B, LYS243D, LYS244B, LYS244D, LYS57B, LYS57D, LYS69B, LYS69D, LYS74B, LYS74D, MET253B, MET253D, MET40B, MET40D, MET63B, MET63D, PHE170B, PHE170D, PHE172B, PHE172D, PHE30B, PHE30D, PHE37B, PHE37D, PHE65B, PHE65D, PHE71B, PHE71D, PRO182B, PRO182D, PRO73B, PRO73D, PRO75B, PRO75D, SER179B, SER179D, SER34B, SER34D, SER56B, SER56D, THR163B, THR163D, THR167B, THR167D, THR247B, THR247D, THR271B, THR271D, TRP79B, TRP79D, TYR238B, TYR238D, TYR248B, TYR248D, TYR249B, TYR249D, TYR35B, TYR35D, VAL180B, VAL180D, VAL185B, VAL185D, VAL233B, VAL233D, VAL258B, VAL258D, VAL31B, VAL31D, VAL36B, VAL36D, VAL70B, VAL70D, VAL76B, VAL76D
• C-D: ALA21C, ALA21D, ALA261C, ALA261D, ALA268C, ALA268D, ALA72C, ALA72D, ARG157C, ARG157D, ARG257C, ARG257D, ARG260C, ARG260D, ARG295C, ARG295D, ARG299C, ARG299D, ASN17C, ASN17D, ASN18C, ASN18D, ASN265C, ASN265D, ASN267C, ASN267D, ASN294C, ASN294D, ASN296C, ASN296D, ASP46C, ASP46D, ASP90C, ASP90D, GLU266C, GLU266D, GLU47C, GLU47D, GLY19C, GLY19D, GLY20C, GLY20D, GLY297C, GLY297D, GLY43C, GLY43D, HIS264C, HIS264D, ILE262C, ILE262D, ILE269C, ILE269D, ILE293C, ILE293D, LEU132C, LEU132D, LEU263C, LEU263D, LEU270C, LEU270D, LYS16C, LYS16D, LYS74C, LYS74D, MET15C, MET15D, PRO73C, PRO73D, PRO75C, PRO75D, VAL292C, VAL292D, VAL76C, VAL76D