2E52

crystal structural analysis of hindiii restriction endonuclease in complex with cognate dna at 2.0 angstrom resolution

• Total interactions analyzed: 45
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 272
  • Norm. En. per Res.: -4.0458
• 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-C	0.0	0.0	-0.1435	-0.1435	2	0	0	42	0	0	0
A-B	-114.3979	-108.5174	-871.021	-1093.9363	272	20	31	36891	10	97	97
A-D	-48.6173	-13.0478	-128.492	-190.1571	71	4	1	5592	4	36	36
C-B	-49.8872	-16.2508	-131.95	-198.0879	75	6	1	6055	4	38	38
C-D	-132.2619	-78.1891	-890.001	-1100.4521	272	30	31	38246	8	98	100
B-D	0.0	0.0	-0.2753	-0.2753	2	0	0	57	0	0	0

Interface residues

• A-C: VAL204A, VAL204C
• A-B: ALA118A, ALA118B, ALA128A, ALA128B, ALA267A, ALA267B, ALA270A, ALA270B, ALA91A, ALA91B, ARG113A, ARG113B, ARG116A, ARG116B, ARG213A, ARG213B, ARG244A, ARG244B, ARG264A, ARG264B, ARG296A, ARG296B, ARG88A, ARG88B, ASN120A, ASN120B, ASN210A, ASN210B, ASN216A, ASN216B, ASN231A, ASN231B, ASN239A, ASN239B, ASN257A, ASN257B, ASN261A, ASN261B, ASN276A, ASN276B, ASN294A, ASN294B, ASN90A, ASN90B, ASP123A, ASP123B, ASP161A, ASP161B, ASP214A, ASP214B, ASP226A, ASP226B, ASP228A, ASP228B, ASP274A, ASP274B, ASP285A, ASP285B, ASP295A, ASP295B, GLN121A, GLN121B, GLN147A, GLN147B, GLN154A, GLN154B, GLN158A, GLN158B, GLN232A, GLN232B, GLN235A, GLN235B, GLN255A, GLN255B, GLN87A, GLN87B, GLU131A, GLU131B, GLU162A, GLU162B, GLU170A, GLU170B, GLU208A, GLU208B, GLU237A, GLU237B, GLU242A, GLU242B, GLU243A, GLU243B, GLU248A, GLU248B, GLU250A, GLU250B, GLU265A, GLU265B, GLU266A, GLU266B, GLU269A, GLU269B, GLU282A, GLU282B, GLU51A, GLU51B, GLY290A, GLY290B, GLY89A, GLY89B, HIS171A, HIS171B, ILE174A, ILE174B, ILE225A, ILE225B, ILE238A, ILE238B, ILE241A, ILE241B, ILE247A, ILE247B, ILE256A, ILE256B, ILE258A, ILE258B, ILE259A, ILE259B, ILE268A, ILE268B, ILE275A, ILE275B, ILE281A, ILE281B, ILE284A, ILE284B, ILE288A, ILE288B, ILE291A, ILE291B, ILE48A, ILE48B, LEU114A, LEU114B, LEU129A, LEU129B, LEU230A, LEU230B, LEU233A, LEU233B, LEU234A, LEU234B, LEU246A, LEU246B, LEU271A, LEU271B, LEU272A, LEU272B, LEU297A, LEU297B, LEU299A, LEU299B, LYS110A, LYS110B, LYS119A, LYS119B, LYS122A, LYS122B, LYS125A, LYS125B, LYS127A, LYS127B, LYS152A, LYS152B, LYS157A, LYS157B, LYS217A, LYS217B, LYS227A, LYS227B, LYS236A, LYS236B, LYS249A, LYS249B, LYS253A, LYS253B, LYS254A, LYS254B, LYS260A, LYS260B, LYS273A, LYS273B, LYS280A, LYS280B, LYS289A, LYS289B, LYS292A, LYS292B, LYS54A, LYS54B, MET212A, MET212B, MET220A, MET220B, MET277A, MET277B, PHE112A, PHE112B, PHE124A, PHE124B, PHE145A, PHE145B, PHE146A, PHE146B, PHE156A, PHE156B, PHE211A, PHE211B, PHE215A, PHE215B, PHE219A, PHE219B, PHE240A, PHE240B, PHE262A, PHE262B, PHE287A, PHE287B, PRO144A, PRO144B, PRO149A, PRO149B, PRO55A, PRO55B, SER115A, SER115B, SER130A, SER130B, SER153A, SER153B, SER245A, SER245B, SER278A, SER278B, SER279A, SER279B, SER286A, SER286B, SER293A, SER293B, THR117A, THR117B, THR150A, THR150B, THR151A, THR151B, THR229A, THR229B, THR263A, THR263B, THR283A, THR283B, TRP132A, TRP132B, TRP252A, TRP252B, TYR148A, TYR148B, TYR251A, TYR251B, TYR298A, TYR298B, VAL126A, VAL126B
• A-D: ALA139A, ALA139D, ARG133A, ARG133D, ASN102A, ASN102D, ASN163A, ASN163D, ASN184A, ASN184D, ASN193A, ASN193D, ASP135A, ASP135D, ASP137A, ASP137D, ASP221A, ASP221D, GLN190A, GLN190D, GLN198A, GLN198D, GLU100A, GLU100D, GLU131A, GLU131D, GLU134A, GLU134D, GLU189A, GLU189D, GLY104A, GLY104D, ILE185A, ILE185D, LEU222A, LEU222D, LYS136A, LYS136D, LYS196A, LYS196D, LYS197A, LYS197D, LYS200A, LYS200D, LYS201A, LYS201D, LYS217D, LYS224A, LYS224D, PHE101A, PHE101D, PHE186A, PHE186D, PHE194A, SER130A, SER130D, SER187A, SER187D, SER199A, SER199D, SER98A, SER98D, THR183A, THR202A, THR202D, TYR103A, TYR103D, TYR138A, TYR138D, TYR218A, TYR218D
• C-B: ALA139C, ARG133B, ARG133C, ASN102B, ASN102C, ASN163B, ASN163C, ASN184B, ASN184C, ASN193B, ASN193C, ASP135B, ASP135C, ASP137B, ASP137C, ASP221B, ASP221C, GLN190B, GLN190C, GLN198B, GLN198C, GLU100B, GLU100C, GLU131B, GLU131C, GLU134B, GLU134C, GLU162C, GLU189B, GLU189C, GLY104B, GLY104C, ILE185B, ILE185C, LEU222B, LEU222C, LEU97B, LYS136B, LYS136C, LYS196B, LYS196C, LYS197B, LYS197C, LYS200B, LYS200C, LYS201B, LYS201C, LYS217B, LYS217C, LYS224B, LYS224C, LYS99C, PHE101B, PHE101C, PHE186B, PHE186C, PHE194B, SER130B, SER130C, SER187B, SER187C, SER199B, SER199C, SER98B, SER98C, THR183B, THR183C, THR202B, THR202C, TYR103B, TYR103C, TYR138B, TYR138C, TYR218B, TYR218C
• C-D: ALA118C, ALA118D, ALA128C, ALA128D, ALA267C, ALA267D, ALA270C, ALA270D, ALA91C, ALA91D, ARG113C, ARG113D, ARG116C, ARG116D, ARG213C, ARG213D, ARG244C, ARG244D, ARG264C, ARG264D, ARG296C, ARG296D, ARG88C, ARG88D, ASN120C, ASN120D, ASN210C, ASN210D, ASN216C, ASN216D, ASN231C, ASN231D, ASN239C, ASN239D, ASN257C, ASN257D, ASN261C, ASN261D, ASN276C, ASN276D, ASN294C, ASN294D, ASN90C, ASN90D, ASP123C, ASP123D, ASP161C, ASP161D, ASP214C, ASP214D, ASP226C, ASP226D, ASP228C, ASP228D, ASP274C, ASP274D, ASP285C, ASP285D, ASP295C, ASP295D, GLN121C, GLN121D, GLN147C, GLN147D, GLN154C, GLN154D, GLN158C, GLN158D, GLN232C, GLN232D, GLN235C, GLN235D, GLN255C, GLN255D, GLN87C, GLU131C, GLU131D, GLU162C, GLU162D, GLU170C, GLU170D, GLU208C, GLU208D, GLU237C, GLU237D, GLU242C, GLU242D, GLU243C, GLU243D, GLU248C, GLU248D, GLU250C, GLU250D, GLU265C, GLU265D, GLU266C, GLU266D, GLU269C, GLU269D, GLU282C, GLU282D, GLU51C, GLU51D, GLY290C, GLY290D, GLY89C, GLY89D, HIS171C, HIS171D, ILE155C, ILE155D, ILE174C, ILE174D, ILE225C, ILE225D, ILE238C, ILE238D, ILE241C, ILE241D, ILE247C, ILE247D, ILE256C, ILE256D, ILE258C, ILE258D, ILE259C, ILE259D, ILE268C, ILE268D, ILE275C, ILE275D, ILE281C, ILE281D, ILE284C, ILE284D, ILE288C, ILE288D, ILE291C, ILE291D, ILE48C, ILE48D, LEU114C, LEU114D, LEU129C, LEU129D, LEU230C, LEU230D, LEU233C, LEU233D, LEU234C, LEU234D, LEU246C, LEU246D, LEU271C, LEU271D, LEU272C, LEU272D, LEU297C, LEU297D, LEU299C, LEU299D, LYS110C, LYS110D, LYS119C, LYS119D, LYS122C, LYS122D, LYS125C, LYS125D, LYS127C, LYS127D, LYS152C, LYS152D, LYS157C, LYS157D, LYS217C, LYS217D, LYS227C, LYS227D, LYS236C, LYS236D, LYS249C, LYS249D, LYS253C, LYS253D, LYS254C, LYS254D, LYS260C, LYS260D, LYS273C, LYS273D, LYS280C, LYS280D, LYS289C, LYS289D, LYS292C, LYS292D, LYS54C, LYS54D, MET212C, MET212D, MET220C, MET220D, MET277C, MET277D, PHE112C, PHE112D, PHE124C, PHE124D, PHE145C, PHE145D, PHE146C, PHE146D, PHE156C, PHE156D, PHE211C, PHE211D, PHE215C, PHE215D, PHE219C, PHE219D, PHE240C, PHE240D, PHE262C, PHE262D, PHE287C, PHE287D, PRO144C, PRO144D, PRO149C, PRO149D, PRO55C, PRO55D, SER115C, SER115D, SER130C, SER130D, SER153C, SER153D, SER245C, SER245D, SER278C, SER278D, SER279C, SER279D, SER286C, SER286D, SER293C, SER293D, THR117C, THR117D, THR150C, THR150D, THR151C, THR151D, THR229C, THR229D, THR263C, THR263D, THR283C, THR283D, TRP132C, TRP132D, TRP252C, TRP252D, TYR148C, TYR148D, TYR251C, TYR251D, TYR298C, TYR298D, VAL126D
• B-D: VAL204B, VAL204D