3PAW

low resolution x-ray crystal structure of yeast rnr1p with datp bound in the a-site

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 112
  • Norm. En. per Res.: -0.5494
• Hub Node: A(1)

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	0.0	0.0	-61.5341	-61.5341	112	1	16	3730	0	41	28
B-C	0.0	0.0	-1.6063	-1.6063	29	0	1	380	0	25	41
C-D	0.0	0.0	-50.7121	-50.7121	106	2	11	3224	0	32	25

Interface residues

• A-B: ALA108A, ALA108B, ALA113A, ALA113B, ALA239A, ALA239B, ALA245A, ALA245B, ALA263A, ALA263B, ALA283A, ALA283B, ARG158B, ARG277A, ARG277B, ARG284A, ARG284B, ARG293B, ASN266A, ASN266B, ASN270A, ASN270B, ASN280A, ASN280B, ASN281A, ASN281B, ASN291A, ASN291B, ASP233A, ASP233B, ASP287A, ASP287B, GLN288A, GLN288B, GLU229A, GLU229B, GLU237A, GLU237B, GLU321A, GLU321B, GLY264A, GLY264B, GLY267A, GLY267B, GLY271A, GLY289A, GLY289B, GLY290A, GLY290B, ILE228A, ILE228B, ILE231A, ILE231B, ILE241B, ILE262A, ILE262B, ILE273A, ILE276A, ILE276B, LEU235A, LEU235B, LEU240A, LEU240B, LYS212B, LYS236A, LYS236B, LYS243A, LYS243B, LYS292A, LYS292B, MET115A, MET275A, MET275B, PHE206B, PHE279A, PHE279B, PRO114B, PRO211B, PRO274A, PRO274B, PRO491B, SER227A, SER227B, SER242A, SER242B, SER269A, SER269B, SER355A, SER355B, THR109A, THR109B, THR234A, THR244A, THR244B, THR265A, THR265B, THR268A, THR268B, THR282A, THR282B, THR354A, THR354B, TYR232A, TYR232B, TYR261A, TYR261B, TYR285A, TYR285B, VAL278A, VAL278B, VAL286A, VAL286B
• B-C: ARG520B, ARG529B, ASP524C, ASP586B, ASP586C, ASP682C, GLN678B, GLN678C, GLU526B, GLU526C, GLU527B, GLU527C, GLU679B, GLU679C, GLY581B, GLY581C, ILE533B, ILE533C, LEU530B, LEU530C, LYS578B, LYS578C, MET582C, PRO579B, PRO579C, SER525B, SER525C, TYR580B, TYR580C
• C-D: ALA108C, ALA108D, ALA113C, ALA113D, ALA239C, ALA239D, ALA245D, ALA263C, ALA263D, ALA283D, ARG158C, ARG277C, ARG277D, ARG284C, ARG284D, ASN106C, ASN106D, ASN266C, ASN266D, ASN270C, ASN270D, ASN280C, ASN280D, ASN281C, ASN281D, ASN291C, ASN291D, ASP233C, ASP233D, ASP287C, CYS238D, GLN288C, GLN288D, GLU229C, GLU229D, GLU237D, GLU321C, GLU321D, GLY110C, GLY230C, GLY264C, GLY264D, GLY267C, GLY267D, GLY271D, GLY289C, GLY289D, GLY290C, GLY290D, ILE228C, ILE228D, ILE231C, ILE262C, ILE262D, ILE273D, ILE276C, ILE276D, LEU157C, LEU235C, LEU235D, LEU240C, LEU240D, LYS111C, LYS236C, LYS236D, LYS243C, LYS243D, LYS292C, LYS292D, MET115C, MET275C, MET275D, PHE279C, PHE279D, PRO114C, PRO274C, PRO274D, SER227C, SER242D, SER260D, SER269C, SER269D, SER355C, SER355D, THR109C, THR109D, THR244C, THR244D, THR265C, THR265D, THR268C, THR268D, THR282C, THR282D, THR354C, THR354D, TYR232C, TYR232D, TYR261C, TYR261D, TYR285C, TYR285D, VAL278C, VAL278D, VAL286C, VAL286D