2EPF

crystal structure of zinc-bound pseudecin from pseudechis porphyriacus

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 135
  • Norm. En. per Res.: -2.1252
• 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	-7.932	2.9538	-82.5462	-87.5244	52	2	0	3745	0	9	20
A-C	0.0	0.0	-0.0568	-0.0568	5	0	0	24	0	1	0
B-C	-35.8006	2.35	-253.446	-286.8967	135	4	2	11199	0	19	37
B-D	-11.7374	4.599	-145.013	-152.1514	104	8	3	6882	0	7	34

Interface residues

• A-B: ALA157B, ALA15B, ALA24B, ARG166B, ARG17B, ARG18B, ARG25B, ASN165B, ASN173A, ASN175A, ASN55A, ASP177A, ASP86B, CYS172A, CYS190A, CYS199A, CYS203A, CYS205A, GLN191A, GLN82B, GLU193A, GLY153B, GLY60A, HIS35A, ILE88B, LEU16B, LEU62A, LYS12B, LYS189A, LYS196A, LYS197A, LYS198A, LYS208A, LYS21B, LYS61A, LYS89B, PHE204A, PRO154B, PRO155B, PRO171A, PRO200A, PRO22B, SER152B, SER19B, THR23B, TYR107B, TYR150B, TYR174A, TYR85B, TYR93B, VAL111B, VAL20B
• A-C: GLN191A, GLU193A, ILE95C, LYS196A, LYS98C
• B-C: ALA139B, ALA139C, ALA147B, ALA147C, ALA50B, ALA50C, ALA97B, ALA97C, ARG143B, ARG143C, ARG25B, ARG25C, ARG57B, ARG57C, ARG63B, ARG63C, ASN141B, ASN141C, ASN176B, ASN176C, ASN180B, ASN180C, ASN55B, ASN55C, ASN67B, ASN67C, ASP177B, ASP177C, CYS181B, CYS181C, CYS199C, CYS64B, CYS64C, GLN109B, GLN109C, GLU193B, GLU193C, GLU66B, GLU66C, GLU87C, GLY101B, GLY101C, GLY105B, GLY105C, GLY140B, GLY140C, GLY144B, GLY144C, GLY65B, GLY65C, GLY94B, GLY94C, HIS106B, HIS106C, HIS51B, HIS51C, ILE104B, ILE104C, ILE142B, ILE142C, ILE146B, ILE146C, ILE195B, ILE195C, ILE68B, ILE68C, ILE95B, ILE95C, LEU131B, LEU131C, LEU184B, LEU184C, LYS151B, LYS151C, LYS182B, LYS182C, LYS186B, LYS186C, LYS187B, LYS187C, LYS197B, LYS197C, LYS198B, LYS198C, LYS98C, MET70B, MET70C, PHE178B, PHE178C, PHE49B, PHE49C, PHE69C, PRO100B, PRO100C, PRO149C, PRO53B, PRO53C, PRO54B, PRO54C, PRO99B, PRO99C, SER102B, SER102C, SER145B, SER145C, SER152B, SER152C, SER179B, SER179C, SER183B, SER183C, SER188B, SER188C, SER52B, SER52C, THR108B, THR108C, THR148B, THR148C, THR192B, THR192C, THR48B, THR48C, THR56B, THR56C, TRP112B, TRP112C, TRP194B, TRP194C, TRP43B, TRP43C, TYR93B, TYR93C, VAL103B, VAL103C
• B-D: ALA162B, ALA162D, ALA201D, ALA36B, ALA36D, ALA37B, ALA37D, ARG18B, ARG18D, ASN14B, ASN14D, ASN165B, ASN165D, ASN170B, ASN170D, ASN173B, ASN173D, ASN207B, ASN207D, ASN33B, ASN33D, ASN4B, ASN4D, ASP11B, ASP11D, CYS156D, CYS159B, CYS159D, CYS163B, CYS163D, CYS168B, CYS168D, CYS172B, CYS172D, CYS190B, CYS203B, CYS203D, CYS205B, CYS205D, GLN29B, GLN29D, GLN38B, GLN38D, GLN6B, GLN6D, GLU193B, GLU8B, GLU8D, GLY119D, GLY60B, GLY60D, HIS116B, HIS116D, HIS206B, HIS206D, HIS35B, HIS35D, ILE118B, ILE118D, ILE9B, LEU117B, LEU117D, LEU167B, LEU167D, LYS189B, LYS196B, LYS196D, LYS208B, LYS208D, LYS31B, LYS31D, LYS41D, LYS61B, LYS61D, LYS7B, LYS7D, MET30B, MET30D, PHE204B, PHE204D, PRO160B, PRO160D, PRO171B, PRO171D, PRO200B, PRO200D, SER161B, SER161D, SER34B, SER34D, THR169B, THR169D, TRP32B, TRP32D, TYR174B, TYR174D, TYR5B, TYR5D, VAL10B, VAL10D, VAL164B, VAL164D, VAL59B, VAL59D