1T1R

crystal structure of the reductoisomerase complexed with a bisphosphonate

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 163
  • Norm. En. per Res.: -4.2659
• Hub Node: A(1)

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	-146.7012	-59.6489	-488.999	-695.3491	163	31	18	19527	2	30	21

Interface residues

• A-B: ALA154A, ALA154B, ALA268A, ALA268B, ALA280A, ALA280B, ALA284A, ALA284B, ALA303A, ALA303B, ALA307A, ALA307B, ALA308A, ALA308B, ARG260A, ARG260B, ARG276A, ARG276B, ARG288A, ARG288B, ASN153A, ASN153B, ASN175A, ASN175B, ASN23A, ASN23B, ASN287A, ASN287B, ASN290A, ASN290B, ASP263A, ASP263B, ASP274A, ASP274B, ASP297A, ASP297B, CYS299A, CYS299B, GLN157A, GLN157B, GLN161A, GLN161B, GLN164A, GLN164B, GLN174A, GLN174B, GLN252A, GLN252B, GLN262A, GLN262B, GLN269A, GLN269B, GLU173A, GLU173B, GLU246A, GLU246B, GLU272A, GLU272B, GLY176A, GLY176B, GLY264A, GLY264B, GLY271A, GLY271B, GLY292A, GLY292B, HIS165A, HIS165B, HIS22A, HIS250A, HIS250B, HIS256A, HIS256B, HIS26A, HIS26B, HIS281A, HIS281B, ILE249A, ILE249B, ILE255A, ILE255B, ILE279A, ILE279B, LEU159A, LEU159B, LEU172A, LEU172B, LEU181A, LEU181B, LEU248A, LEU248B, LEU267A, LEU267B, LEU270A, LEU270B, LEU296A, LEU296B, LEU301A, LEU301B, LEU304A, LEU304B, LYS294A, LYS294B, LYS300A, LYS300B, MET258A, MET258B, PHE156A, PHE156B, PHE298A, PHE298B, PHE306A, PHE306B, PRO160A, PRO160B, PRO162A, PRO162B, PRO278A, PRO278B, PRO286A, PRO286B, PRO295A, PRO295B, PRO309A, PRO309B, SER158A, SER158B, SER179A, SER179B, SER257A, SER265A, SER265B, SER291A, SER291B, SER302A, SER302B, THR183A, THR183B, THR277A, THR277B, THR282A, THR282B, THR305A, THR305B, TYR261A, TYR261B, VAL177A, VAL177B, VAL178A, VAL178B, VAL19A, VAL19B, VAL247B, VAL254A, VAL254B, VAL259A, VAL259B, VAL266A, VAL266B, VAL289A, VAL289B, VAL293A, VAL293B