3A11

crystal structure of ribose-1,5-bisphosphate isomerase from thermococcus kodakaraensis kod1

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 180
  • Norm. En. per Res.: -4.9083
• Hub Node: A(4)

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	-131.7257	-136.0081	-615.758	-883.4918	180	40	20	26063	8	59	53
A-C	-7.3554	-55.8088	-149.962	-213.1262	79	13	3	6626	5	18	22
A-D	0.0	-21.5377	-40.4833	-62.021	23	2	0	1437	3	21	23
A-E	-19.4269	-22.8561	-103.383	-145.666	71	6	4	5182	4	18	17
B-D	-6.3653	-34.6351	-133.493	-174.4933	81	19	5	6922	3	19	23
B-E	-7.4334	2.7147	-28.4506	-33.1692	22	6	0	1362	0	23	27
B-F	-2.9171	-23.3017	-83.5433	-109.7621	62	3	3	4099	3	15	17
C-D	-134.3652	-120.8589	-631.984	-887.2082	185	36	20	26532	8	54	54
C-E	-27.7261	-33.9593	-157.487	-219.1724	81	3	3	6619	5	19	17
C-F	0.0	-24.6927	-33.4841	-58.1768	18	1	0	1341	3	20	22
D-F	-8.2814	-42.8609	-142.019	-193.1613	72	13	3	6685	4	18	18
E-F	-117.7145	-133.8997	-605.646	-857.2602	185	50	23	26488	9	58	54

Interface residues

• A-B: ALA169A, ALA169B, ALA173A, ALA173B, ALA186A, ALA186B, ALA187A, ALA187B, ALA217A, ALA217B, ALA220A, ALA220B, ALA223A, ALA223B, ALA278A, ALA278B, ARG160A, ARG160B, ARG188A, ARG188B, ARG254A, ARG254B, ASN271A, ASN271B, ASN276A, ASN276B, ASP184A, ASP184B, ASP280A, ASP280B, GLU158A, GLU158B, GLU171A, GLU171B, GLU225A, GLU225B, GLU250A, GLU252A, GLU252B, GLU258A, GLU258B, GLU264A, GLU264B, GLU273A, GLU273B, GLU285A, GLU285B, GLY165A, GLY165B, GLY176A, GLY176B, GLY215A, GLY215B, HIS132A, HIS132B, HIS189A, HIS189B, HIS226A, HIS226B, ILE155A, ILE155B, ILE167A, ILE167B, ILE177A, ILE177B, ILE180A, ILE180B, ILE214A, ILE214B, ILE219A, ILE219B, ILE251A, ILE260A, ILE260B, ILE272A, ILE272B, LEU172A, LEU172B, LEU218A, LEU218B, LEU221A, LEU221B, LEU245B, LEU248A, LEU265A, LEU265B, LYS153A, LYS153B, LYS162A, LYS162B, LYS166A, LYS166B, LYS170A, LYS170B, LYS192A, LYS192B, LYS213A, LYS213B, LYS224A, LYS224B, LYS270A, LYS270B, MET130A, MET130B, MET191A, MET191B, MET193A, MET193B, MET244B, MET253A, MET253B, PHE279A, PHE279B, PRO161A, PRO161B, PRO178A, PRO178B, PRO256A, PRO256B, PRO261A, PRO261B, PRO269A, PRO269B, PRO277A, PRO277B, PRO283A, PRO283B, PRO284A, SER174A, SER174B, SER185A, SER185B, THR157A, THR157B, THR159A, THR159B, THR168A, THR168B, THR216A, THR216B, THR222A, THR222B, THR267A, THR267B, THR282A, THR282B, TRP146A, TRP163A, TRP163B, TRP268A, TRP268B, TRP275A, TRP275B, TYR175A, TYR175B, TYR181A, TYR181B, TYR190A, TYR190B, TYR286A, TYR286B, VAL128A, VAL128B, VAL154A, VAL154B, VAL156A, VAL156B, VAL179A, VAL179B, VAL182A, VAL182B, VAL183A, VAL183B, VAL249A, VAL259A, VAL259B, VAL274A, VAL274B, VAL281A, VAL281B
• A-C: ALA209C, ALA217C, ALA301A, ALA301C, ALA302A, ALA302C, ALA313C, ARG114A, ARG122A, ARG227A, ARG294A, ARG307A, ARG307C, ARG79A, ASN107A, ASN207C, ASP127A, ASP195A, ASP288A, ASP304A, ASP304C, GLU103A, GLU124A, GLU242C, GLU285C, GLU293A, GLU308A, GLU309A, GLY208C, GLY246C, GLY295A, HIS106A, ILE123A, ILE251C, ILE290A, ILE291A, ILE296A, ILE297A, ILE303A, ILE303C, ILE305A, LEU221C, LEU245C, LEU314C, LYS110A, LYS121A, LYS196A, LYS224A, LYS224C, LYS315C, MET231A, MET244C, PHE104A, PHE118A, PHE239A, PRO241C, PRO283C, PRO284C, PRO298A, PRO299A, PRO299C, THR205C, THR230A, THR236A, THR243C, THR282C, THR292A, TRP229A, TRP312C, TYR286C, TYR300A, TYR300C, TYR316C, TYR75A, VAL206C, VAL228A, VAL281C, VAL287A, VAL289A
• A-D: ALA223A, ARG188A, ARG188D, ARG227A, ARG227D, ASP195A, ASP195D, GLU225A, GLU225D, HIS226A, HIS226D, LYS192A, LYS192D, LYS224A, LYS224D, MET191A, MET191D, MET193A, MET193D, THR222A, THR222D, TRP229D, VAL228D
• A-E: ALA120E, ALA209A, ALA301A, ALA301E, ALA302A, ALA313A, ARG114E, ARG122E, ARG227E, ARG294E, ARG307A, ARG307E, ARG79E, ASN107E, ASN207A, ASP288E, ASP304A, ASP304E, GLN148E, GLN247A, GLU103E, GLU117E, GLU124E, GLU285A, GLU293E, GLU308E, GLU309E, GLY119E, GLY208A, GLY246A, GLY295E, ILE123E, ILE290E, ILE291E, ILE296E, ILE297E, ILE303A, ILE303E, ILE305E, LEU221A, LEU245A, LEU248A, LEU314A, LYS121E, LYS150E, LYS196E, LYS224E, LYS315A, MET231E, MET244A, PHE104E, PHE118E, PRO283A, PRO284A, PRO298A, PRO298E, PRO299A, PRO299E, THR236E, THR243A, THR292E, TRP229E, TRP312A, TYR286A, TYR300A, TYR300E, TYR316A, TYR75E, VAL206A, VAL249A, VAL289E
• B-D: ALA111D, ALA209B, ALA217B, ALA301B, ALA301D, ALA302B, ALA302D, ALA313B, ARG114D, ARG122D, ARG227D, ARG294D, ARG307B, ARG307D, ARG79D, ASN107D, ASN207B, ASP288D, ASP304B, ASP304D, GLN247B, GLU103D, GLU124D, GLU242B, GLU285B, GLU285D, GLU293D, GLU308B, GLU308D, GLU309D, GLY208B, GLY246B, GLY295D, HIS106D, ILE115D, ILE211B, ILE290D, ILE291D, ILE296D, ILE297D, ILE303B, ILE303D, ILE305D, LEU221B, LEU245B, LEU306B, LEU314B, LYS110D, LYS121D, LYS196D, LYS224D, LYS315B, MET231D, MET244B, PHE104D, PHE118D, PHE239D, PRO241B, PRO283B, PRO284B, PRO298D, PRO299B, PRO299D, SER108D, THR205B, THR236D, THR243B, THR282B, THR292D, THR317B, TRP229D, TRP312B, TYR286B, TYR300B, TYR300D, TYR316B, TYR75D, VAL206B, VAL281B, VAL287D, VAL289D
• B-E: ALA223B, ALA223E, ARG122B, ARG122E, ARG188B, ARG227B, ARG227E, GLU124E, GLU225B, GLU225E, HIS226B, HIS226E, LYS192B, LYS192E, LYS224B, LYS224E, MET191E, THR222B, THR222E, TRP229B, VAL228B, VAL228E
• B-F: ALA209F, ALA301B, ALA301F, ALA313F, ARG114B, ARG122B, ARG227B, ARG294B, ARG307B, ARG307F, ARG79B, ASN107B, ASN207F, ASP288B, ASP304B, ASP304F, GLU103B, GLU124B, GLU285B, GLU285F, GLU293B, GLU308B, GLU308F, GLU309B, GLY119B, GLY208F, GLY246F, GLY295B, ILE123B, ILE290B, ILE291B, ILE296B, ILE297B, ILE303F, ILE305B, LEU245F, LEU314F, LYS121B, LYS224B, LYS315F, MET231B, MET244F, PHE104B, PHE118B, PRO283F, PRO284F, PRO298B, PRO299B, PRO299F, THR236B, THR243F, THR292B, TRP229B, TRP312F, TYR286F, TYR300B, TYR300F, TYR316F, TYR75B, VAL206F, VAL249F, VAL289B
• C-D: ALA169C, ALA169D, ALA173C, ALA173D, ALA186C, ALA186D, ALA187C, ALA187D, ALA217C, ALA217D, ALA220C, ALA220D, ALA223C, ALA223D, ALA278C, ALA278D, ARG160C, ARG160D, ARG188C, ARG188D, ASN271C, ASN271D, ASN276C, ASN276D, ASP184C, ASP184D, ASP280C, ASP280D, CYS133C, CYS133D, GLU158C, GLU158D, GLU171C, GLU171D, GLU225C, GLU225D, GLU252C, GLU252D, GLU258C, GLU258D, GLU264C, GLU264D, GLU273C, GLU273D, GLU285C, GLU285D, GLY165C, GLY165D, GLY176C, GLY176D, GLY215C, GLY215D, GLY246C, GLY246D, HIS132C, HIS132D, HIS189C, HIS189D, HIS226C, HIS226D, ILE155C, ILE155D, ILE167C, ILE167D, ILE177C, ILE177D, ILE180C, ILE180D, ILE211C, ILE214C, ILE214D, ILE219C, ILE219D, ILE251C, ILE260C, ILE260D, ILE272C, ILE272D, LEU172C, LEU172D, LEU218C, LEU218D, LEU221C, LEU221D, LEU245C, LEU245D, LEU248D, LEU265C, LEU265D, LYS153C, LYS153D, LYS162C, LYS162D, LYS166C, LYS166D, LYS170C, LYS170D, LYS192C, LYS192D, LYS213C, LYS213D, LYS224C, LYS224D, LYS270C, LYS270D, MET130D, MET191C, MET191D, MET193C, MET193D, MET244C, MET244D, MET253C, MET253D, PHE279C, PHE279D, PRO161C, PRO161D, PRO178C, PRO178D, PRO256C, PRO256D, PRO261C, PRO261D, PRO269C, PRO269D, PRO277C, PRO277D, PRO283C, PRO283D, PRO284C, SER174C, SER174D, SER185C, SER185D, THR157C, THR157D, THR159C, THR159D, THR168C, THR168D, THR216C, THR216D, THR222C, THR222D, THR267C, THR267D, THR282C, THR282D, TRP146C, TRP146D, TRP163C, TRP163D, TRP268C, TRP268D, TRP275C, TRP275D, TYR175C, TYR175D, TYR181C, TYR181D, TYR190C, TYR190D, TYR286C, TYR286D, VAL128C, VAL128D, VAL154C, VAL154D, VAL156C, VAL156D, VAL179C, VAL179D, VAL182C, VAL182D, VAL183C, VAL183D, VAL210C, VAL249D, VAL259C, VAL259D, VAL274C, VAL274D, VAL281C, VAL281D
• C-E: ALA111C, ALA209E, ALA217E, ALA301C, ALA301E, ALA302C, ALA302E, ALA313E, ARG114C, ARG122C, ARG227C, ARG294C, ARG307C, ARG307E, ARG79C, ASN107C, ASN207E, ASP127C, ASP195C, ASP288C, ASP304C, ASP304E, GLU113C, GLU117C, GLU124C, GLU242E, GLU285C, GLU285E, GLU293C, GLU308C, GLU309C, GLY208E, GLY246E, GLY295C, ILE115C, ILE290C, ILE296C, ILE297C, ILE303C, ILE303E, ILE305C, LEU221E, LEU245E, LEU306C, LEU306E, LEU314E, LYS110C, LYS121C, LYS196C, LYS224C, LYS315E, MET231C, MET244E, PHE118C, PHE310C, PRO241E, PRO283E, PRO284E, PRO298C, PRO298E, PRO299C, PRO299E, THR205E, THR230C, THR236C, THR243E, THR282E, THR292C, THR317E, TRP229C, TRP312E, TYR286E, TYR300C, TYR300E, TYR316E, TYR75C, VAL206E, VAL228C, VAL281E, VAL287C, VAL289C
• C-F: ARG188C, ARG188F, ARG227C, ARG227F, ASP195C, ASP195F, GLU225C, GLU225F, HIS226C, HIS226F, LYS192C, LYS192F, LYS224C, LYS224F, MET191C, MET191F, THR222C, THR222F
• D-F: ALA209D, ALA301D, ALA301F, ALA302D, ALA302F, ALA313D, ARG122F, ARG227F, ARG294F, ARG307D, ARG307F, ASN207D, ASP127F, ASP195F, ASP288F, ASP304D, ASP304F, GLN247D, GLU124F, GLU242D, GLU285D, GLU285F, GLU293F, GLU308D, GLU308F, GLU309F, GLY119F, GLY208D, GLY246D, GLY295F, ILE123F, ILE290F, ILE291F, ILE296F, ILE297F, ILE303D, ILE303F, ILE305F, LEU221D, LEU245D, LEU248D, LEU314D, LYS121F, LYS196F, LYS224F, LYS315D, MET231F, MET244D, PHE118F, PHE239F, PRO241D, PRO283D, PRO284D, PRO298F, PRO299D, PRO299F, THR205D, THR236F, THR243D, THR282D, THR292F, TRP229F, TRP312D, TYR286D, TYR300D, TYR300F, TYR316D, VAL206D, VAL249D, VAL281D, VAL287F, VAL289F
• E-F: ALA169E, ALA169F, ALA173E, ALA173F, ALA186E, ALA186F, ALA187E, ALA187F, ALA217E, ALA217F, ALA220E, ALA220F, ALA223E, ALA223F, ALA278E, ALA278F, ARG160E, ARG160F, ARG188E, ARG188F, ASN271E, ASN271F, ASN276E, ASN276F, ASP184E, ASP184F, ASP280E, ASP280F, CYS133E, CYS133F, GLU158E, GLU158F, GLU171E, GLU171F, GLU225E, GLU225F, GLU250F, GLU252E, GLU252F, GLU258E, GLU258F, GLU264E, GLU264F, GLU273E, GLU273F, GLU285E, GLU285F, GLY165E, GLY165F, GLY176E, GLY176F, GLY215E, GLY215F, GLY246E, HIS132E, HIS132F, HIS189E, HIS189F, HIS226E, HIS226F, ILE155E, ILE155F, ILE167E, ILE167F, ILE177E, ILE177F, ILE180E, ILE180F, ILE211F, ILE214E, ILE214F, ILE219E, ILE219F, ILE251E, ILE251F, ILE260E, ILE260F, ILE272E, ILE272F, LEU172E, LEU172F, LEU218E, LEU218F, LEU221E, LEU221F, LEU245E, LEU265E, LEU265F, LYS153E, LYS153F, LYS162E, LYS162F, LYS166E, LYS166F, LYS170E, LYS170F, LYS192E, LYS192F, LYS213E, LYS213F, LYS224E, LYS224F, LYS270E, LYS270F, MET130E, MET130F, MET191E, MET191F, MET193E, MET193F, MET244E, MET244F, MET253E, MET253F, PHE279E, PHE279F, PRO161E, PRO161F, PRO178E, PRO178F, PRO256E, PRO256F, PRO261E, PRO261F, PRO269E, PRO269F, PRO277E, PRO277F, PRO283E, PRO283F, PRO284E, PRO284F, SER174E, SER174F, SER185E, SER185F, THR157E, THR157F, THR159E, THR159F, THR168E, THR168F, THR216E, THR216F, THR222E, THR222F, THR267E, THR267F, THR282E, THR282F, TRP146E, TRP146F, TRP163E, TRP163F, TRP268E, TRP268F, TRP275E, TRP275F, TYR175E, TYR175F, TYR181E, TYR181F, TYR190E, TYR190F, TYR286E, TYR286F, VAL128E, VAL128F, VAL154E, VAL154F, VAL156E, VAL156F, VAL179E, VAL179F, VAL182E, VAL182F, VAL183E, VAL183F, VAL249F, VAL259E, VAL259F, VAL274E, VAL274F, VAL281E, VAL281F