1NX4

the crystal structure of carbapenem synthase (carc)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 60
  • Norm. En. per Res.: -2.6889
• 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	-38.627	-2.0131	-123.286	-163.9261	61	3	3	4876	3	29	34
A-C	-38.3573	-4.474	-116.222	-159.0534	60	3	3	4738	3	30	33
B-C	-39.525	-7.8616	-113.949	-161.3356	60	4	3	4716	3	30	31

Interface residues

• A-B: ALA129B, ALA12B, ALA144A, ALA216A, ARG127B, ARG148A, ARG229B, ASN123B, ASN257B, ASP211A, ASP258B, ASP260B, GLN140A, GLN198B, GLN215A, GLN219A, GLN227A, GLN227B, GLU141A, GLU152A, GLU153A, GLU213A, GLU220A, GLU237B, GLU254B, GLU255B, GLY128B, GLY208A, HIS145A, HIS212A, HIS234B, ILE206A, ILE261B, LEU146A, LEU147A, LEU221A, LYS125B, LYS226B, LYS233B, LYS45B, PHE126B, PHE209A, PHE217A, PHE218A, PHE224A, PHE235B, PHE256B, PRO143A, PRO228B, THR131B, THR154A, THR210A, THR214A, TRP236B, TYR18B, TYR231B, TYR232B, VAL10B, VAL124B, VAL149A, VAL207A
• A-C: ALA129A, ALA12A, ALA144C, ALA216C, ARG127A, ARG148C, ARG229A, ASN123A, ASN257A, ASP211C, ASP258A, ASP260A, GLN140C, GLN198A, GLN215C, GLN219C, GLN227A, GLN227C, GLU141C, GLU152C, GLU153C, GLU213C, GLU220C, GLU237A, GLU254A, GLU255A, GLY128A, GLY208C, HIS145C, HIS212C, HIS234A, ILE206C, ILE261A, LEU146C, LEU147C, LEU221C, LYS125A, LYS226A, LYS233A, LYS45A, PHE126A, PHE209C, PHE217C, PHE218C, PHE224C, PHE235A, PHE256A, PRO143C, PRO228A, THR154C, THR210C, THR214C, TRP236A, TYR18A, TYR231A, TYR232A, VAL10A, VAL124A, VAL149C, VAL207C
• B-C: ALA129C, ALA12C, ALA144B, ALA216B, ARG127C, ARG148B, ARG229C, ASN123C, ASN257C, ASP211B, ASP258C, ASP260C, GLN140B, GLN215B, GLN219B, GLN227B, GLN227C, GLU141B, GLU152B, GLU153B, GLU213B, GLU220B, GLU237C, GLU254C, GLU255C, GLY128C, GLY208B, HIS145B, HIS212B, HIS234C, ILE206B, ILE261C, LEU146B, LEU147B, LEU221B, LYS125C, LYS226C, LYS233C, LYS45C, PHE126C, PHE209B, PHE217B, PHE218B, PHE224B, PHE235C, PHE256C, PRO143B, PRO228C, THR131C, THR154B, THR210B, THR214B, TYR18C, TYR230B, TYR231C, TYR232C, VAL10C, VAL124C, VAL149B, VAL207B