3HN2

crystal structure of 2-dehydropantoate 2-reductase from geobacter metallireducens gs-15

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 79
  • Norm. En. per Res.: -3.4347
• 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	-7.5103	-63.0697	-160.415	-230.995	94	5	6	6496	6	41	46
A-C	0.0	26.9333	-110.415	-83.4817	64	6	0	4582	2	13	18
C-D	-10.3261	-136.0209	-124.993	-271.34	79	8	3	4920	4	31	32

Interface residues

• A-B: ALA141A, ALA141B, ALA207A, ALA207B, ALA249A, ALA249B, ARG143A, ARG143B, ARG165A, ARG165B, ARG172A, ARG172B, ARG208A, ARG208B, ARG212A, ARG212B, ARG216A, ARG216B, ARG21A, ASN203A, ASN203B, ASN48A, ASN48B, ASP170A, ASP170B, ASP209A, ASP209B, ASP241A, ASP241B, ASP242A, ASP242B, ASP248A, ASP248B, CYS127A, CYS127B, CYS171A, CYS171B, GLN166A, GLN166B, GLU245A, GLU245B, GLU252A, GLU252B, GLY140A, GLY140B, GLY142A, GLY142B, GLY168A, GLY168B, GLY251A, GLY251B, GLY49A, GLY49B, HIS138A, HIS138B, ILE145A, ILE145B, ILE205A, ILE205B, ILE47A, ILE47B, LEU126A, LEU139A, LEU139B, LEU204A, LEU204B, LEU206A, LEU206B, LEU244A, LEU244B, MET243A, MET243B, MET250A, MET250B, PHE125A, PHE125B, PHE246A, PHE246B, PRO201A, PRO201B, SER46A, SER46B, THR247A, THR247B, TRP187A, TRP187B, TYR239A, TYR239B, TYR253A, TYR253B, VAL169A, VAL169B, VAL202A, VAL202B
• A-C: ALA109A, ALA109C, ALA111A, ALA111C, ALA116A, ALA116C, ALA228A, ALA228C, ALA278A, ALA278C, ALA281A, ALA281C, ALA286A, ALA286C, ARG274A, ARG282A, ARG282C, GLN229A, GLN229C, GLU107A, GLU107C, GLU108A, GLU108C, GLU117A, GLU117C, GLU283A, GLU283C, GLU291A, GLU291C, GLY105A, GLY105C, GLY115A, GLY115C, GLY230A, GLY230C, GLY280A, GLY280C, GLY284A, GLY284C, ILE119A, ILE285A, ILE285C, LEU104A, LEU104C, LEU110A, LEU113A, LEU150A, LEU150C, LEU277A, LEU277C, LYS178A, LYS178C, MET287C, PHE114A, PHE149A, PHE149C, PRO151C, PRO288C, THR112A, THR112C, THR275A, TRP182C, TYR279A, TYR279C
• C-D: ALA141C, ALA141D, ALA161C, ALA161D, ALA162C, ALA162D, ALA167C, ALA167D, ALA207C, ALA249C, ALA249D, ARG143C, ARG143D, ARG165C, ARG165D, ARG172C, ARG172D, ARG212C, ARG212D, ARG21D, ASN203C, ASN203D, ASN48C, ASN48D, ASP170C, ASP170D, ASP241C, ASP241D, ASP242C, ASP242D, ASP248C, ASP248D, CYS171C, CYS171D, GLN166C, GLN166D, GLU158C, GLU158D, GLU245C, GLU245D, GLU252C, GLU252D, GLY140C, GLY140D, GLY168C, GLY168D, GLY238C, GLY238D, GLY251C, GLY251D, GLY49C, GLY49D, HIS138C, HIS138D, ILE47C, ILE47D, LEU139C, LEU139D, LEU206C, LEU206D, LEU244C, LEU244D, MET243C, MET243D, MET250C, MET250D, PHE164C, PHE164D, PHE246C, PHE246D, SER46C, SER46D, THR173C, THR173D, THR247C, THR247D, TYR239C, VAL169C, VAL169D