3MKN

crystal structure of the e. coli pyrimidine nucleosidase yeik bound to a competitive inhibitor

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 98
  • Norm. En. per Res.: -2.9703
• 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	-26.4684	-12.4295	-252.192	-291.0899	98	1	2	10282	0	18	20
A-C	0.0	35.974	-180.786	-144.812	80	3	0	7725	0	8	11
A-D	0.0	0.0	-1.4553	-1.4553	8	0	0	149	0	0	0
B-C	0.0	0.0	-1.2641	-1.2641	8	0	0	141	0	0	0
B-D	0.0	37.3234	-188.582	-151.2586	84	4	1	7989	0	8	11
C-D	-25.7021	-15.6272	-245.7	-287.0292	98	1	2	10021	0	18	20

Interface residues

• A-B: ALA104A, ALA104B, ALA131A, ALA131B, ALA133A, ALA133B, ALA139A, ALA139B, ALA169A, ALA169B, ALA173A, ALA173B, ALA174A, ALA174B, ALA65A, ALA65B, ARG135A, ARG135B, ARG175A, ARG175B, ARG73A, ARG73B, ASN129A, ASN129B, ASN265A, ASN265B, ASP170A, ASP170B, ASP263A, GLN137A, GLN137B, GLN69A, GLN69B, GLN74A, GLN74B, GLN75A, GLN75B, GLU172A, GLU172B, GLY267A, GLY267B, GLY66A, GLY66B, HIS103A, HIS103B, ILE109A, ILE109B, ILE71A, ILE71B, ILE76A, LEU141A, LEU141B, LEU43A, LEU43B, LYS106A, LYS106B, MET134A, MET134B, MET136A, MET136B, MET67A, MET67B, MET72A, MET72B, PRO138A, PRO138B, PRO171A, PRO171B, PRO68A, PRO68B, PRO70A, PRO70B, SER101A, SER101B, SER128A, SER128B, SER180A, SER180B, SER266A, SER266B, THR102A, THR102B, THR179A, THR179B, TYR270A, TYR270B, VAL105A, VAL105B, VAL132A, VAL132B, VAL176A, VAL176B, VAL177A, VAL177B, VAL262A, VAL262B, VAL264A, VAL264B
• A-C: ALA153A, ALA153C, ALA163A, ALA163C, ARG175A, ARG175C, ARG272A, ARG272C, ASN158A, ASN158C, ASN193A, ASN193C, ASN265A, ASN265C, ASN80A, ASP263A, ASP263C, ASP276A, ASP276C, CYS269A, CYS269C, CYS275A, CYS275C, GLN256C, GLU261A, GLU261C, GLU277A, GLU277C, GLY155A, GLY155C, GLY157A, GLY157C, GLY267A, GLY267C, GLY279A, GLY279C, GLY282A, GLY282C, LEU189A, LEU189C, LEU278A, LEU278C, LEU281A, LEU281C, MET258A, MET258C, PHE159A, PHE159C, PHE168A, PHE168C, PRO161A, PRO161C, PRO268A, PRO268C, SER162A, SER162C, SER266A, SER266C, THR156A, THR156C, THR160A, THR160C, THR273A, THR273C, TYR154A, TYR154C, TYR259A, TYR259C, TYR270A, TYR270C, VAL260A, VAL260C, VAL262A, VAL262C, VAL264A, VAL264C, VAL274A, VAL274C, VAL280A, VAL280C
• A-D: ASN265A, ASN265D, GLY267A, GLY267D, PRO268A, PRO268D, SER266A, SER266D
• B-C: ASN265B, ASN265C, GLY267B, GLY267C, PRO268B, PRO268C, SER266B, SER266C
• B-D: ALA153B, ALA153D, ALA163B, ALA163D, ARG175B, ARG175D, ARG272B, ARG272D, ASN158B, ASN158D, ASN193B, ASN193D, ASN265B, ASN265D, ASN80D, ASP263B, ASP263D, ASP276B, ASP276D, CYS269B, CYS269D, CYS275B, CYS275D, GLN256B, GLN256D, GLU261B, GLU261D, GLU277B, GLU277D, GLY155B, GLY155D, GLY157B, GLY157D, GLY267B, GLY267D, GLY271D, GLY279B, GLY279D, GLY282B, GLY282D, LEU189B, LEU189D, LEU233B, LEU278B, LEU278D, LEU281B, LEU281D, MET258B, MET258D, PHE159B, PHE159D, PHE168B, PHE168D, PRO161B, PRO161D, PRO268B, PRO268D, SER162B, SER162D, SER266B, SER266D, THR156B, THR156D, THR160B, THR160D, THR273B, THR273D, TYR154B, TYR154D, TYR231B, TYR259B, TYR259D, TYR270B, TYR270D, VAL260B, VAL260D, VAL262B, VAL262D, VAL264B, VAL264D, VAL274B, VAL274D, VAL280B, VAL280D
• C-D: ALA104C, ALA104D, ALA131C, ALA131D, ALA133C, ALA133D, ALA139C, ALA139D, ALA169C, ALA169D, ALA173C, ALA173D, ALA174C, ALA174D, ALA65C, ALA65D, ARG135C, ARG135D, ARG175C, ARG175D, ARG73C, ARG73D, ASN129C, ASN129D, ASN265C, ASN265D, ASP170C, ASP170D, ASP263D, GLN137C, GLN137D, GLN69C, GLN69D, GLN74C, GLN74D, GLN75C, GLN75D, GLU172C, GLU172D, GLY267C, GLY267D, GLY66C, GLY66D, HIS103C, HIS103D, ILE109C, ILE109D, ILE71C, ILE71D, ILE76D, LEU141C, LEU141D, LEU43C, LEU43D, LYS106C, LYS106D, MET134C, MET134D, MET136C, MET136D, MET67C, MET67D, MET72C, MET72D, PRO138C, PRO138D, PRO171C, PRO171D, PRO68C, PRO68D, PRO70C, PRO70D, SER101C, SER101D, SER128C, SER128D, SER180C, SER180D, SER266C, SER266D, THR102C, THR102D, THR179C, THR179D, TYR270C, TYR270D, VAL105C, VAL105D, VAL132C, VAL132D, VAL176C, VAL176D, VAL177C, VAL177D, VAL262C, VAL262D, VAL264C, VAL264D