3KHS

crystal structure of grouper iridovirus purine nucleoside phosphorylase

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 93
  • Norm. En. per Res.: -4.1919
• 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	-60.5394	-14.1742	-288.305	-363.0187	90	8	10	11193	1	14	14
A-C	-67.4447	-13.0376	-301.364	-381.8463	94	10	10	11566	0	14	14
B-C	-74.076	-12.1306	-303.644	-389.8505	93	15	10	11555	0	14	15
C-D	-21.9735	19.3957	-98.9061	-101.484	43	5	0	2948	8	4	8

Interface residues

• A-B: ALA139A, ALA139B, ALA141A, ALA141B, ALA201A, ALA219B, ALA90A, ALA90B, ARG130B, ARG155B, ARG207B, ASN134A, ASN134B, ASN142B, ASN148B, ASN193A, ASN245A, ASP131B, CYS190A, CYS190B, CYS191A, CYS191B, CYS203A, CYS246A, GLU154B, GLU198A, GLU202A, GLU247A, GLU86A, GLY137A, GLY137B, GLY140A, GLY140B, GLY146B, GLY194A, GLY210B, GLY87A, HIS132B, HIS227B, HIS83A, HIS88A, ILE133B, ILE205A, ILE205B, ILE223B, ILE242A, LEU135A, LEU135B, LEU138A, LEU138B, LEU144B, LEU206A, LEU206B, LEU208A, LEU208B, LEU84A, LYS165B, LYS204A, LYS226B, MET159B, MET209A, MET209B, MET216A, PHE156B, PHE197A, PRO136A, PRO136B, PRO143B, PRO147B, PRO157B, PRO195A, PRO200A, SER158B, SER161B, SER196A, SER211B, SER30A, THR145B, THR160B, THR199A, THR222B, THR89A, TYR163B, TYR189B, TYR85A, VAL162B, VAL188B, VAL192A, VAL214A, VAL224B
• A-C: ALA139A, ALA139C, ALA141A, ALA141C, ALA201C, ALA219A, ALA90A, ALA90C, ARG130A, ARG155A, ARG207A, ASN134A, ASN134C, ASN142A, ASN148A, ASN193C, ASN245C, ASP131A, CYS190A, CYS190C, CYS191A, CYS191C, CYS203C, CYS246C, GLU154A, GLU198C, GLU202C, GLU247C, GLU86C, GLY137A, GLY137C, GLY140A, GLY140C, GLY146A, GLY194C, GLY210A, GLY56C, GLY87C, HIS132A, HIS227A, HIS83C, HIS88C, ILE133A, ILE205A, ILE205C, ILE223A, ILE242C, LEU135A, LEU135C, LEU138A, LEU138C, LEU144A, LEU206A, LEU206C, LEU208A, LEU208C, LEU84C, LYS165A, LYS204C, LYS226A, MET159A, MET209A, MET209C, MET216C, PHE156A, PHE197C, PRO136A, PRO136C, PRO143A, PRO147A, PRO157A, PRO195C, PRO200C, PRO220A, SER158A, SER161A, SER196C, SER211A, SER30C, SER57C, THR145A, THR160A, THR199C, THR222A, THR248C, THR89C, TYR163A, TYR189A, TYR85C, VAL162A, VAL188A, VAL192C, VAL214C, VAL224A
• B-C: ALA139B, ALA139C, ALA141B, ALA141C, ALA201B, ALA219C, ALA90B, ALA90C, ARG130C, ARG155C, ARG168C, ARG207C, ASN134B, ASN134C, ASN142C, ASN148C, ASN193B, ASN245B, ASP131C, CYS190B, CYS190C, CYS191B, CYS191C, CYS203B, CYS246B, GLU154C, GLU198B, GLU202B, GLU247B, GLU86B, GLY137B, GLY137C, GLY140B, GLY140C, GLY146C, GLY194B, GLY210C, GLY56B, GLY87B, HIS132C, HIS227C, HIS83B, HIS88B, ILE133C, ILE205B, ILE205C, ILE223C, ILE242B, LEU135B, LEU135C, LEU138B, LEU138C, LEU144C, LEU206B, LEU206C, LEU208B, LEU208C, LEU84B, LYS165C, LYS204B, LYS226C, MET159C, MET209B, MET209C, MET216B, PHE156C, PHE197B, PRO136B, PRO136C, PRO143C, PRO147C, PRO157C, PRO195B, PRO200B, PRO220C, SER158C, SER161C, SER196B, SER211C, SER30B, THR145C, THR160C, THR199B, THR222C, THR89B, TYR163C, TYR189C, TYR85B, VAL162C, VAL188C, VAL192B, VAL214B, VAL224C
• C-D: ALA183C, ALA183D, ALA243C, ALA243D, ARG122C, ARG122D, ARG267C, ARG267D, ASN240C, ASN240D, ASP125C, ASP125D, GLY124C, GLY124D, GLY179C, GLY179D, HIS185C, HIS185D, ILE238C, ILE238D, ILE242C, ILE242D, MET180C, MET180D, PHE126C, PHE126D, PRO119C, PRO119D, PRO123C, PRO123D, SER120C, SER120D, SER181C, SER181D, THR184C, THR184D, THR248C, TYR121C, TYR121D, TYR182C, TYR182D, VAL241C, VAL241D