2GR9

crystal structure of p5cr complexed with nadh

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 45
  • Norm. En. per Res.: -2.8186
• 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-C	-8.6137	-12.6383	-93.8051	-115.0571	46	10	1	3647	7	19	15
A-E	-15.2303	3.3675	-85.6775	-97.5404	53	5	1	3522	3	19	17
B-D	-14.7636	-13.6567	-79.1285	-107.5488	44	10	1	3553	6	19	15
B-E	-6.7038	-17.3753	-102.756	-126.8351	45	2	1	3980	7	19	15
C-D	-6.6241	11.2654	-100.312	-95.6707	45	7	1	3767	4	19	16

Interface residues

• A-C: ALA187C, ALA189C, ALA202C, ALA237A, ALA241A, ARG199C, ARG200C, ARG251A, ARG264C, ARG266A, ASN230A, ASP165A, ASP186C, ASP190C, ASP229A, GLN226A, GLU163A, GLU246A, GLY191C, GLY192C, GLY196C, GLY225A, GLY235A, GLY236A, HIS240A, HIS243A, HIS73C, ILE239A, LEU185C, LEU188C, LEU197C, LEU242A, LYS194C, LYS228A, MET195C, PRO198C, PRO234A, SER232A, SER233A, SER247A, THR183C, THR238A, VAL193C, VAL203C, VAL244A, VAL244C
• A-E: ALA187A, ALA189A, ALA202A, ALA237E, ALA241E, ALA40A, ARG199A, ARG200A, ARG204A, ARG251E, ARG264A, ARG266E, ASN230E, ASP165E, ASP186A, ASP190A, ASP229E, ASP36A, GLN226E, GLU163E, GLU221E, GLU246E, GLY191A, GLY192A, GLY196A, GLY225E, GLY235E, GLY236E, HIS240E, HIS243E, HIS73A, ILE239E, LEU166E, LEU188A, LEU197A, LEU201A, LEU242E, LEU39A, LYS194A, LYS228E, LYS71A, MET195A, PRO198A, PRO234E, SER232E, SER233E, SER247E, THR183A, THR238E, VAL193A, VAL203A, VAL231E, VAL244E
• B-D: ALA187B, ALA189B, ALA202B, ALA237D, ALA241D, ARG199B, ARG200B, ARG251D, ARG264B, ARG266D, ASN230D, ASP186B, ASP190B, ASP229D, GLN226D, GLU246D, GLY191B, GLY192B, GLY196B, GLY225D, GLY235D, GLY236D, HIS223D, HIS240D, HIS243D, ILE239D, LEU197B, LEU201B, LEU242D, LYS194B, LYS228D, MET195B, PRO198B, PRO234D, SER232D, SER233D, SER247D, THR183B, THR238D, VAL193B, VAL203B, VAL231D, VAL244B, VAL244D
• B-E: ALA187E, ALA189E, ALA202E, ALA237B, ALA241B, ARG199E, ARG200E, ARG251B, ARG264E, ARG266B, ASN230B, ASP186E, ASP190E, ASP229B, GLN226B, GLU221B, GLU246B, GLY191E, GLY192E, GLY196E, GLY225B, GLY235B, GLY236B, HIS240B, HIS243B, ILE239B, ILE263B, LEU185E, LEU197E, LEU201E, LEU242B, LEU39E, LYS194E, LYS228B, MET195E, PRO198E, PRO234B, SER232B, SER233B, THR183E, THR238B, VAL193E, VAL203E, VAL231B, VAL244B
• C-D: ALA187D, ALA189D, ALA202D, ALA237C, ALA241C, ARG199D, ARG200D, ARG251C, ASN230C, ASP165C, ASP186D, ASP190D, ASP229C, GLN226C, GLU163C, GLU221C, GLU246C, GLY191D, GLY192D, GLY196D, GLY225C, GLY235C, GLY236C, HIS240C, HIS243C, HIS73D, ILE239C, ILE74D, LEU197D, LEU242C, LEU39D, LYS194D, LYS228C, MET195D, PRO198D, PRO234C, SER232C, SER233C, SER247C, THR183D, THR238C, VAL193D, VAL203D, VAL231C, VAL244C