3HKA

crystal structure of uronate isomerase from bacillus halodurans complexed with zinc and d-fructuronate

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 165
  • Norm. En. per Res.: -4.4811
• 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	-103.3504	-66.3197	-568.242	-737.9121	166	22	8	22258	12	87	85
A-C	-99.2254	-69.031	-571.124	-739.3803	165	20	8	22219	13	88	85
B-C	-108.7034	-62.41	-558.842	-729.9554	165	19	8	22377	11	87	85

Interface residues

• A-B: ALA108A, ALA268A, ALA272A, ALA279A, ALA313B, ALA387B, ALA53A, ALA92A, ARG110A, ARG264A, ARG289B, ARG303A, ARG303B, ARG314B, ARG339B, ARG341B, ARG398B, ARG406B, ARG410B, ARG57A, ARG86A, ARG94A, ASN305A, ASN305B, ASN318B, ASN329A, ASN330A, ASN335A, ASN335B, ASN407B, ASP106A, ASP111A, ASP271A, ASP274A, ASP282B, ASP379B, ASP382B, ASP383B, ASP399B, ASP402B, ASP60A, CYS93A, CYS99A, GLN101A, GLN306B, GLN386B, GLU285B, GLU290B, GLU304A, GLU304B, GLU308B, GLU332A, GLU332B, GLU336A, GLU336B, GLU343B, GLU390B, GLU395B, GLU54A, GLU80A, GLU81A, GLU91A, GLY102A, GLY270A, GLY273A, GLY277A, GLY346B, GLY388B, GLY95A, HIS266A, HIS286B, HIS307B, HIS367A, HIS368A, HIS49A, ILE321B, ILE333A, ILE333B, ILE334A, ILE350B, ILE372A, ILE384B, ILE396B, ILE63A, ILE84A, LEU100A, LEU105A, LEU112A, LEU269A, LEU288B, LEU297B, LEU301A, LEU309B, LEU312B, LEU319B, LEU345B, LEU377B, LEU385B, LEU403B, LEU51A, LEU82A, LEU97A, LYS262A, LYS263A, LYS278A, LYS278B, LYS315B, LYS380B, LYS85A, MET281B, MET320B, MET328A, MET337B, MET340B, MET342B, MET344B, MET56A, PHE275A, PHE296B, PHE316B, PHE327A, PHE349B, PHE411B, PHE83A, PRO107A, PRO267A, PRO292B, PRO331A, PRO88A, SER280B, SER302A, SER302B, SER317B, SER348B, SER371A, SER62A, SER87A, SER90A, THR109A, THR338B, THR347B, THR392B, THR59A, THR98A, TRP325A, TRP326A, TRP389B, TRP58A, TRP79A, TYR115A, TYR364A, TYR381B, TYR48A, TYR50A, VAL261A, VAL265A, VAL276A, VAL284B, VAL310B, VAL311B, VAL376B, VAL391B, VAL52A, VAL55A, VAL89A, VAL96A
• A-C: ALA108C, ALA268C, ALA272C, ALA279C, ALA313A, ALA387A, ALA53C, ALA92C, ARG110C, ARG264C, ARG289A, ARG303A, ARG303C, ARG314A, ARG339A, ARG341A, ARG398A, ARG406A, ARG410A, ARG57C, ARG86C, ARG94C, ASN305A, ASN305C, ASN318A, ASN329C, ASN330C, ASN335A, ASN335C, ASN407A, ASP106C, ASP111C, ASP271C, ASP274C, ASP282A, ASP379A, ASP382A, ASP383A, ASP399A, ASP402A, ASP60C, CYS93C, CYS99C, GLN101C, GLN306A, GLN386A, GLU285A, GLU290A, GLU304A, GLU304C, GLU308A, GLU332A, GLU332C, GLU336A, GLU336C, GLU343A, GLU390A, GLU395A, GLU54C, GLU80C, GLU81C, GLU91C, GLY102C, GLY270C, GLY273C, GLY277C, GLY283A, GLY346A, GLY388A, GLY95C, HIS266C, HIS286A, HIS307A, HIS367C, HIS368C, HIS49C, ILE321A, ILE333A, ILE333C, ILE334C, ILE350A, ILE372C, ILE384A, ILE396A, ILE63C, ILE84C, LEU100C, LEU105C, LEU269C, LEU288A, LEU297A, LEU301C, LEU309A, LEU312A, LEU319A, LEU345A, LEU377A, LEU385A, LEU403A, LEU51C, LEU82C, LEU97C, LYS262C, LYS263C, LYS278A, LYS278C, LYS315A, LYS380A, LYS85C, MET281A, MET320A, MET328C, MET337A, MET340A, MET342A, MET344A, MET56C, PHE275C, PHE296A, PHE316A, PHE327C, PHE349A, PHE411A, PHE83C, PRO107C, PRO226C, PRO267C, PRO292A, PRO331C, PRO88C, SER280A, SER302A, SER302C, SER317A, SER348A, SER87C, SER90C, THR109C, THR338A, THR347A, THR392A, THR59C, THR98C, TRP325C, TRP326C, TRP389A, TRP58C, TRP79C, TYR115C, TYR364C, TYR381A, TYR48C, TYR50C, VAL261C, VAL265C, VAL276C, VAL284A, VAL310A, VAL311A, VAL376A, VAL391A, VAL52C, VAL55C, VAL89C, VAL96C
• B-C: ALA108B, ALA268B, ALA272B, ALA279B, ALA313C, ALA387C, ALA53B, ALA92B, ARG110B, ARG264B, ARG289C, ARG303B, ARG303C, ARG314C, ARG339C, ARG341C, ARG398C, ARG406C, ARG410C, ARG57B, ARG86B, ARG94B, ASN305B, ASN305C, ASN318C, ASN329B, ASN330B, ASN335B, ASN335C, ASN407C, ASP106B, ASP111B, ASP271B, ASP274B, ASP282C, ASP379C, ASP382C, ASP383C, ASP399C, ASP402C, ASP60B, CYS93B, CYS99B, GLN101B, GLN306C, GLN386C, GLU285C, GLU290C, GLU304B, GLU304C, GLU308C, GLU332B, GLU332C, GLU336B, GLU336C, GLU343C, GLU390C, GLU395C, GLU54B, GLU80B, GLU81B, GLU91B, GLY102B, GLY270B, GLY273B, GLY277B, GLY283C, GLY346C, GLY388C, GLY95B, HIS266B, HIS286C, HIS307C, HIS367B, HIS368B, HIS49B, ILE321C, ILE333B, ILE333C, ILE334B, ILE350C, ILE372B, ILE384C, ILE396C, ILE63B, ILE84B, LEU100B, LEU105B, LEU269B, LEU288C, LEU297C, LEU301B, LEU309C, LEU312C, LEU319C, LEU345C, LEU377C, LEU385C, LEU403C, LEU51B, LEU82B, LEU97B, LYS262B, LYS263B, LYS278B, LYS278C, LYS315C, LYS380C, LYS85B, MET281C, MET320C, MET328B, MET337C, MET340C, MET342C, MET344C, MET56B, PHE275B, PHE316C, PHE327B, PHE349C, PHE411C, PHE83B, PRO107B, PRO267B, PRO292C, PRO331B, PRO88B, SER280C, SER302B, SER302C, SER317C, SER348C, SER62B, SER87B, SER90B, THR109B, THR338C, THR347C, THR392C, THR59B, THR98B, TRP325B, TRP326B, TRP389C, TRP58B, TRP79B, TYR115B, TYR364B, TYR381C, TYR48B, TYR50B, VAL261B, VAL265B, VAL276B, VAL284C, VAL310C, VAL311C, VAL376C, VAL391C, VAL52B, VAL55B, VAL61B, VAL89B, VAL96B