3OCE

crystal structure of fumarate lyase:delta crystallin from brucella melitensis bound to cobalt

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 239
  • Norm. En. per Res.: -3.8749
• 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-B	-147.044	-24.5424	-523.298	-694.8844	189	28	12	20404	0	25	19
A-C	-105.3701	-127.1991	-693.54	-926.1092	239	26	18	26927	6	23	14
A-D	-137.2615	85.0221	-751.551	-803.7904	299	18	21	33209	11	57	53
B-C	-112.4519	93.2161	-718.551	-737.7868	285	24	21	32116	9	55	48
B-D	-78.3149	-148.0109	-672.032	-898.3578	237	33	18	26882	7	24	14
C-D	-107.9661	-32.0449	-495.722	-635.733	181	21	13	19381	0	25	18

Interface residues

• A-B: ALA191A, ALA191B, ALA291A, ALA291B, ALA349B, ALA350A, ALA350B, ALA399A, ALA399B, ALA401A, ALA401B, ALA408A, ALA408B, ALA410A, ALA410B, ALA418A, ALA418B, ALA420A, ALA420B, ALA421A, ALA421B, ALA424A, ALA424B, ALA427A, ALA427B, ALA429A, ALA429B, ARG185A, ARG185B, ARG281A, ARG281B, ARG295A, ARG295B, ARG302A, ARG302B, ARG309A, ARG309B, ARG396A, ARG396B, ARG398B, ARG419A, ARG419B, ASN292A, ASN292B, ASN325A, ASN325B, ASP190A, ASP190B, ASP293A, ASP293B, CYS397A, CYS397B, GLN187A, GLN187B, GLN189A, GLN189B, GLN314A, GLN314B, GLN354A, GLN354B, GLN426A, GLN426B, GLN432A, GLN432B, GLU307A, GLU307B, GLU330A, GLU330B, GLU351A, GLU351B, GLU402A, GLU402B, GLU403A, GLU403B, GLU422A, GLU422B, GLU436A, GLU436B, GLY184A, GLY184B, GLY300A, GLY300B, GLY304A, GLY304B, GLY306A, GLY306B, GLY316A, GLY316B, GLY322A, GLY322B, GLY400A, GLY400B, GLY416A, GLY416B, GLY431A, GLY431B, ILE183A, ILE183B, ILE308A, ILE308B, ILE319A, ILE319B, ILE405A, ILE405B, ILE423A, ILE423B, LEU188A, LEU188B, LEU294A, LEU294B, LEU296A, LEU296B, LEU297A, LEU297B, LEU305A, LEU305B, LEU310A, LEU310B, LEU344A, LEU344B, LEU407A, LEU407B, LEU411A, LEU411B, LEU428A, LEU428B, LYS182A, LYS182B, LYS323A, LYS323B, LYS425A, LYS425B, MET320A, MET320B, MET348A, MET348B, MET435A, MET435B, PRO193A, PRO193B, PRO301A, PRO301B, PRO321A, PRO321B, PRO326A, PRO326B, PRO413A, PRO413B, SER298A, SER298B, SER299A, SER299B, SER303A, SER303B, SER317A, SER317B, SER318A, SER318B, SER352A, SER352B, SER404A, SER404B, SER406A, SER406B, SER430A, SER430B, THR186A, THR186B, THR347A, THR347B, THR409A, THR409B, THR433A, THR433B, TYR417A, TYR417B, VAL192A, VAL192B, VAL324A, VAL324B, VAL327A, VAL327B, VAL412A, VAL412B, VAL415A, VAL434A, VAL434B, VAL437A, VAL437B
• A-C: ALA230A, ALA230C, ALA27A, ALA27C, ALA284A, ALA284C, ALA291A, ALA291C, ALA312A, ALA312C, ALA349A, ALA349C, ALA350A, ALA350C, ALA359A, ALA359C, ALA378A, ALA378C, ALA98A, ALA98C, ARG12A, ARG12C, ARG26A, ARG26C, ARG281A, ARG281C, ARG295A, ARG295C, ARG373A, ARG373C, ARG377A, ARG377C, ARG385A, ARG385C, ASN131A, ASN131C, ASN141A, ASN141C, ASN236A, ASN236C, ASN292A, ASN292C, ASN30A, ASN30C, ASN325A, ASN325C, ASN333A, ASN333C, ASN342A, ASN342C, ASN358A, ASN358C, ASN367A, ASN367C, ASN381A, ASN381C, ASP132A, ASP132C, ASP343A, ASP343C, ASP35A, ASP35C, ASP7A, ASP7C, ASP92A, ASP92C, CYS336A, CYS336C, GLN23A, GLN23C, GLN314A, GLN314C, GLN334A, GLN334C, GLN338A, GLN338C, GLN354A, GLN354C, GLN6A, GLN6C, GLN95A, GLN95C, GLU108A, GLU108C, GLU29A, GLU29C, GLU330A, GLU330C, GLU351A, GLU351C, GLU361A, GLU361C, GLY10A, GLY10C, GLY316A, GLY316C, GLY322C, GLY341A, GLY341C, GLY353A, GLY353C, GLY376A, GLY376C, GLY96A, GLY96C, GLY97A, GLY97C, GLY99A, GLY99C, HIS129A, HIS129C, HIS40A, HIS40C, ILE22A, ILE22C, ILE231A, ILE231C, ILE319A, ILE319C, ILE328A, ILE328C, ILE340A, ILE340C, ILE364A, ILE364C, LEU188A, LEU188C, LEU25A, LEU296A, LEU296C, LEU33A, LEU33C, LEU344A, LEU344C, LEU355A, LEU355C, LEU357A, LEU357C, LEU363A, LEU363C, LEU374A, LEU374C, LEU375A, LEU375C, LEU382A, LEU382C, LEU9A, LEU9C, LYS323A, LYS323C, MET104A, MET104C, MET320A, MET348A, MET348C, MET379A, MET379C, PHE31A, PHE31C, PHE360A, PHE360C, PHE94A, PHE94C, PRO311A, PRO311C, PRO315A, PRO315C, PRO321A, PRO321C, PRO326A, PRO326C, PRO329A, PRO329C, PRO362A, PRO362C, SER101A, SER101C, SER288A, SER288C, SER299A, SER299C, SER317A, SER317C, SER318A, SER318C, SER32A, SER32C, SER331A, SER331C, SER34A, SER34C, SER352A, SER352C, SER370A, SER370C, SER8A, SER8C, THR100A, THR100C, THR140A, THR140C, THR24A, THR24C, THR345A, THR345C, THR347A, THR347C, THR380A, THR380C, TYR144A, TYR337A, TYR337C, TYR366A, TYR366C, VAL285A, VAL285C, VAL28A, VAL28C, VAL313A, VAL313C, VAL324A, VAL324C, VAL327A, VAL327C, VAL332A, VAL332C, VAL335A, VAL335C, VAL339A, VAL339C, VAL346A, VAL346C, VAL365A, VAL365C, VAL36A, VAL36C, VAL91A, VAL93A, VAL93C
• A-D: ALA191A, ALA191D, ALA202A, ALA202D, ALA204A, ALA204D, ALA205A, ALA205D, ALA212A, ALA230A, ALA230D, ALA237A, ALA237D, ALA240D, ALA266A, ALA266D, ALA272A, ALA272D, ALA284A, ALA284D, ALA291A, ALA291D, ALA349A, ALA349D, ALA350A, ALA350D, ALA359A, ALA359D, ALA408D, ALA410A, ALA410D, ALA418D, ALA420D, ALA421D, ALA458A, ALA458D, ALA98A, ALA98D, ARG149A, ARG149D, ARG185A, ARG185D, ARG208A, ARG208D, ARG213A, ARG213D, ARG234A, ARG234D, ARG281A, ARG281D, ARG282A, ARG282D, ARG295A, ARG295D, ARG419D, ARG456A, ARG456D, ASN131A, ASN135A, ASN141A, ASN141D, ASN236A, ASN236D, ASN262A, ASN262D, ASN292A, ASN292D, ASN333A, ASN333D, ASN358A, ASN358D, ASP132A, ASP132D, ASP133A, ASP190A, ASP190D, ASP210A, ASP210D, ASP269A, ASP269D, ASP293A, ASP293D, ASP343A, ASP343D, ASP453A, CYS336A, CYS336D, GLN138A, GLN187A, GLN187D, GLN189A, GLN189D, GLN198A, GLN198D, GLN354A, GLN354D, GLN356A, GLN356D, GLN64A, GLU199A, GLU199D, GLU201A, GLU201D, GLU209A, GLU209D, GLU216A, GLU216D, GLU223A, GLU223D, GLU265A, GLU265D, GLU307A, GLU307D, GLU351A, GLU351D, GLY184A, GLY184D, GLY197A, GLY197D, GLY227A, GLY227D, GLY228A, GLY228D, GLY232A, GLY232D, GLY261A, GLY261D, GLY271A, GLY271D, GLY278A, GLY278D, GLY341A, GLY341D, GLY353A, GLY353D, GLY416D, GLY96A, GLY96D, GLY97A, GLY97D, GLY99A, GLY99D, HIS129A, HIS239A, HIS239D, ILE181A, ILE181D, ILE183A, ILE183D, ILE194A, ILE194D, ILE231A, ILE231D, ILE235A, ILE235D, ILE279A, ILE279D, ILE283A, ILE283D, ILE290A, ILE290D, ILE340A, ILE340D, ILE364A, ILE364D, LEU188A, LEU188D, LEU196A, LEU196D, LEU207A, LEU207D, LEU220A, LEU220D, LEU263A, LEU263D, LEU280A, LEU280D, LEU287A, LEU287D, LEU294A, LEU294D, LEU296A, LEU296D, LEU297A, LEU297D, LEU305A, LEU305D, LEU344A, LEU344D, LEU355A, LEU355D, LEU357A, LEU357D, LEU407A, LEU407D, LEU411D, LEU452D, LYS182A, LYS182D, LYS258D, LYS286A, LYS286D, LYS289A, LYS289D, LYS425D, MET136A, MET348A, MET348D, MET451D, MET457A, MET457D, PHE200A, PHE200D, PHE203A, PHE203D, PHE273A, PHE273D, PHE276A, PHE276D, PHE31A, PHE31D, PHE360A, PHE360D, PHE459A, PHE459D, PRO193A, PRO193D, PRO413D, PRO454A, PRO454D, PRO460A, PRO460D, PRO461A, SER101A, SER137A, SER139A, SER139D, SER238A, SER238D, SER267A, SER267D, SER277A, SER277D, SER288A, SER288D, SER298A, SER298D, SER352A, SER352D, SER406A, SER406D, SER8A, SER8D, THR100A, THR100D, THR140A, THR140D, THR186A, THR186D, THR195A, THR195D, THR206A, THR206D, THR229A, THR229D, THR233A, THR233D, THR260A, THR260D, THR270A, THR270D, THR275A, THR275D, THR345A, THR345D, THR347A, THR347D, THR409A, THR409D, TRP268A, TRP268D, TYR337A, TYR337D, TYR417A, TYR417D, VAL192A, VAL192D, VAL217A, VAL217D, VAL264A, VAL264D, VAL274A, VAL274D, VAL285A, VAL285D, VAL346A, VAL346D, VAL412D, VAL414D
• B-C: ALA191B, ALA191C, ALA202B, ALA202C, ALA204B, ALA204C, ALA205B, ALA205C, ALA212B, ALA212C, ALA218C, ALA219B, ALA230B, ALA230C, ALA237B, ALA237C, ALA240C, ALA266B, ALA266C, ALA272B, ALA272C, ALA284B, ALA284C, ALA291B, ALA291C, ALA349B, ALA349C, ALA350B, ALA350C, ALA359B, ALA359C, ALA410B, ALA410C, ALA458B, ALA458C, ALA98B, ALA98C, ARG149B, ARG149C, ARG185B, ARG185C, ARG208B, ARG208C, ARG213B, ARG213C, ARG234B, ARG234C, ARG281B, ARG281C, ARG282B, ARG282C, ARG295B, ARG295C, ARG456B, ARG456C, ASN131B, ASN141B, ASN141C, ASN236B, ASN236C, ASN262B, ASN262C, ASN292B, ASN292C, ASN333B, ASN333C, ASN358B, ASN358C, ASP132B, ASP132C, ASP190B, ASP190C, ASP210B, ASP210C, ASP269B, ASP269C, ASP293B, ASP293C, ASP343B, ASP343C, ASP453C, CYS336B, CYS336C, GLN187B, GLN187C, GLN189B, GLN189C, GLN198B, GLN198C, GLN354B, GLN354C, GLN356B, GLN356C, GLU199B, GLU199C, GLU201B, GLU201C, GLU209B, GLU209C, GLU216B, GLU216C, GLU223B, GLU223C, GLU265B, GLU265C, GLU307B, GLU307C, GLU351B, GLU351C, GLY184B, GLY184C, GLY197B, GLY197C, GLY227B, GLY228B, GLY228C, GLY232B, GLY232C, GLY261B, GLY261C, GLY271B, GLY271C, GLY278B, GLY278C, GLY341B, GLY341C, GLY353B, GLY353C, GLY96B, GLY96C, GLY97B, GLY97C, GLY99B, GLY99C, HIS239B, HIS239C, ILE181B, ILE181C, ILE183B, ILE183C, ILE194B, ILE194C, ILE231B, ILE231C, ILE235B, ILE235C, ILE279B, ILE279C, ILE283B, ILE283C, ILE290B, ILE290C, ILE340B, ILE340C, ILE364B, ILE364C, LEU188B, LEU188C, LEU196B, LEU196C, LEU207B, LEU207C, LEU214C, LEU220B, LEU220C, LEU263B, LEU263C, LEU280B, LEU280C, LEU287B, LEU287C, LEU294B, LEU294C, LEU296B, LEU296C, LEU297B, LEU297C, LEU305B, LEU305C, LEU344B, LEU344C, LEU355B, LEU355C, LEU357B, LEU357C, LEU407B, LEU407C, LYS182B, LYS182C, LYS286B, LYS286C, LYS289B, LYS289C, MET348B, MET348C, MET451C, MET457B, MET457C, PHE200B, PHE200C, PHE203B, PHE203C, PHE221C, PHE273B, PHE273C, PHE276B, PHE276C, PHE31B, PHE360B, PHE360C, PHE459B, PHE459C, PRO193B, PRO193C, PRO362C, PRO413C, PRO454B, PRO454C, PRO460B, PRO460C, PRO461B, SER101C, SER139B, SER139C, SER238B, SER238C, SER267B, SER267C, SER277B, SER277C, SER288B, SER288C, SER298B, SER298C, SER352B, SER352C, SER406B, SER406C, SER8B, SER8C, THR100B, THR100C, THR140B, THR140C, THR186B, THR186C, THR195B, THR195C, THR206B, THR206C, THR229B, THR229C, THR233B, THR233C, THR260B, THR260C, THR270B, THR270C, THR275B, THR275C, THR345B, THR345C, THR347B, THR347C, THR409B, THR409C, TRP268B, TRP268C, TYR337B, TYR337C, TYR417B, TYR417C, VAL192B, VAL192C, VAL217B, VAL217C, VAL264B, VAL264C, VAL274B, VAL274C, VAL285B, VAL285C, VAL346B, VAL346C, VAL412C
• B-D: ALA230B, ALA230D, ALA27B, ALA27D, ALA284B, ALA284D, ALA291B, ALA291D, ALA312B, ALA312D, ALA349B, ALA349D, ALA350B, ALA350D, ALA359B, ALA359D, ALA378B, ALA378D, ALA98B, ALA98D, ARG12B, ARG12D, ARG26B, ARG26D, ARG281B, ARG281D, ARG295B, ARG295D, ARG373B, ARG373D, ARG377B, ARG377D, ARG385B, ARG385D, ASN103D, ASN131B, ASN131D, ASN141B, ASN141D, ASN236B, ASN236D, ASN292B, ASN292D, ASN30B, ASN30D, ASN325B, ASN325D, ASN333B, ASN333D, ASN342B, ASN342D, ASN358B, ASN358D, ASN367B, ASN367D, ASN381B, ASN381D, ASP343B, ASP343D, ASP35B, ASP35D, ASP7B, ASP7D, ASP92B, ASP92D, CYS336B, CYS336D, GLN23B, GLN23D, GLN314B, GLN314D, GLN334B, GLN334D, GLN338B, GLN338D, GLN354B, GLN354D, GLN6B, GLN6D, GLN95B, GLN95D, GLU108B, GLU108D, GLU29B, GLU29D, GLU330B, GLU330D, GLU351B, GLU351D, GLU361B, GLU361D, GLY10B, GLY10D, GLY316B, GLY316D, GLY341B, GLY341D, GLY353B, GLY353D, GLY376B, GLY376D, GLY96B, GLY96D, GLY97B, GLY97D, GLY99B, GLY99D, HIS40B, HIS40D, ILE22B, ILE22D, ILE231B, ILE231D, ILE319B, ILE319D, ILE328B, ILE328D, ILE340B, ILE340D, ILE364B, ILE364D, LEU188B, LEU188D, LEU25B, LEU25D, LEU296B, LEU296D, LEU33B, LEU33D, LEU344B, LEU344D, LEU355B, LEU355D, LEU357B, LEU357D, LEU363B, LEU363D, LEU374B, LEU374D, LEU375B, LEU375D, LEU382B, LEU382D, LEU9B, LEU9D, LYS323B, LYS323D, MET104B, MET104D, MET320B, MET320D, MET348B, MET348D, MET379B, MET379D, PHE31B, PHE31D, PHE360B, PHE360D, PHE94B, PHE94D, PRO311B, PRO311D, PRO315B, PRO315D, PRO321B, PRO321D, PRO326B, PRO326D, PRO329B, PRO329D, PRO362B, PRO362D, SER101B, SER101D, SER102D, SER139D, SER288B, SER288D, SER299B, SER299D, SER317B, SER317D, SER318B, SER318D, SER32B, SER32D, SER331B, SER331D, SER34B, SER34D, SER352B, SER352D, SER370B, SER370D, SER8B, SER8D, THR100B, THR100D, THR140B, THR140D, THR24B, THR24D, THR345B, THR345D, THR347B, THR347D, THR380B, THR380D, TYR144B, TYR337B, TYR337D, TYR366B, TYR366D, VAL285B, VAL285D, VAL28B, VAL28D, VAL313B, VAL313D, VAL324B, VAL324D, VAL327B, VAL327D, VAL332B, VAL332D, VAL335B, VAL335D, VAL339B, VAL339D, VAL346B, VAL346D, VAL365B, VAL36B, VAL36D, VAL93B, VAL93D
• C-D: ALA191C, ALA191D, ALA291C, ALA291D, ALA349C, ALA349D, ALA350C, ALA399C, ALA399D, ALA401C, ALA401D, ALA408C, ALA408D, ALA410C, ALA410D, ALA418C, ALA418D, ALA420C, ALA420D, ALA421C, ALA421D, ALA424C, ALA424D, ALA427C, ALA427D, ALA429C, ALA429D, ARG185C, ARG185D, ARG281C, ARG295C, ARG295D, ARG302C, ARG302D, ARG309C, ARG309D, ARG396C, ARG396D, ARG419C, ARG419D, ASN292C, ASN292D, ASN325C, ASN325D, ASP190C, ASP190D, ASP293C, ASP293D, CYS397C, CYS397D, GLN187C, GLN187D, GLN189C, GLN189D, GLN314D, GLN354C, GLN354D, GLN426C, GLN426D, GLN432C, GLN432D, GLU307C, GLU307D, GLU330C, GLU330D, GLU351C, GLU351D, GLU402C, GLU402D, GLU403C, GLU403D, GLU422C, GLU422D, GLU436C, GLY184C, GLY184D, GLY300C, GLY300D, GLY304C, GLY304D, GLY306C, GLY306D, GLY316C, GLY316D, GLY322C, GLY322D, GLY400C, GLY400D, GLY416C, GLY416D, GLY431C, GLY431D, ILE183C, ILE183D, ILE308C, ILE308D, ILE319C, ILE319D, ILE405C, ILE405D, ILE423C, ILE423D, LEU188C, LEU188D, LEU294C, LEU294D, LEU296C, LEU296D, LEU297C, LEU297D, LEU305C, LEU305D, LEU310C, LEU310D, LEU344C, LEU344D, LEU407C, LEU407D, LEU411C, LEU411D, LEU428C, LEU428D, LYS182C, LYS182D, LYS323C, LYS323D, LYS425C, LYS425D, MET320C, MET320D, MET348C, MET348D, MET435C, PRO193D, PRO301C, PRO301D, PRO321C, PRO321D, PRO326C, PRO326D, PRO413D, SER298C, SER298D, SER299C, SER299D, SER303C, SER303D, SER317C, SER317D, SER318C, SER318D, SER352C, SER352D, SER404C, SER404D, SER406C, SER406D, SER430C, THR186C, THR186D, THR347C, THR347D, THR409C, THR409D, THR433C, THR433D, TYR417C, TYR417D, VAL192C, VAL192D, VAL324C, VAL324D, VAL327C, VAL327D, VAL412C, VAL412D, VAL415C, VAL415D, VAL434C, VAL434D, VAL437C