3OET

d-erythronate-4-phosphate dehydrogenase complexed with nad

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 111
  • Norm. En. per Res.: -3.4249
• Hub Node: A(6)

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	-23.1574	4.696	-98.9877	-117.4491	42	5	1	3746	2	18	16
A-C	0.0	-3.9459	-23.6826	-27.6285	35	1	0	1374	2	23	21
A-D	-6.7098	36.2605	-26.5534	2.9973	45	5	0	1146	0	17	24
A-E	0.0	-3.1261	-9.967	-13.0931	18	0	0	579	0	8	6
A-F	0.0	0.0	-23.1305	-23.1305	41	1	0	1317	0	16	23
A-H	-75.4116	-0.7212	-277.75	-353.8828	112	11	6	11609	5	73	68
B-D	0.0	-10.9218	-12.1805	-23.1023	24	0	0	720	2	18	18
B-E	-86.8228	-9.5098	-283.83	-380.1626	111	9	6	11651	4	75	70
B-G	-7.0518	32.8616	-43.2793	-17.4695	38	2	0	2171	3	16	14
B-H	0.0	-9.3703	-15.402	-24.7723	24	0	0	957	0	10	8
C-D	-25.0502	8.3432	-110.199	-126.9059	45	6	1	4014	2	17	16
C-F	-81.4395	17.9508	-276.403	-339.8917	114	9	6	11684	2	72	70
C-G	0.0	-3.8182	-4.9817	-8.7999	20	0	0	451	0	7	7
C-H	-21.2152	-11.6029	-51.9448	-84.7629	36	5	0	2498	5	15	16
D-E	-11.2564	53.3862	-58.6442	-16.5145	63	7	0	3181	0	31	37
D-F	0.0	-5.0823	-9.3422	-14.4245	21	0	0	633	0	10	5
D-G	-89.7708	0.0609	-279.214	-368.9239	111	16	6	11745	5	77	69
G-H	0.0	0.326	-22.3762	-22.0502	24	2	0	1137	3	20	20

Interface residues

• A-B: ALA361A, ALA361B, ALA362A, ALA362B, ALA363A, ALA363B, ALA372A, ALA372B, ARG297A, ARG297B, ASN371A, ASN371B, ASP358B, CYS356A, CYS356B, CYS366A, CYS366B, GLU287B, GLU359A, GLU359B, HIS374A, HIS374B, HIS375A, HIS375B, LEU364A, LEU364B, LEU365A, LEU365B, LYS367A, LYS367B, PHE370A, PHE370B, PRO376A, PRO376B, THR360A, THR360B, TYR353A, TYR353B, VAL354A, VAL354B, VAL373A, VAL373B
• A-C: ALA168A, ALA361C, ALA363C, ARG115A, ARG115C, ARG117A, ARG141A, ARG159A, ASP116A, ASP169A, ASP305C, ASP357C, ASP358C, GLN166A, GLN306C, GLU163A, GLU167A, GLU359C, GLY139A, GLY302C, HIS301C, HIS374C, HIS375C, LEU143A, LEU304C, LYS198A, PHE112A, PRO199A, PRO303C, PRO307C, PRO376C, SER113A, THR118A, THR308C, THR360C
• A-D: ALA137A, ALA137D, ALA361D, ALA362D, ALA363A, ALA363D, ARG115A, ARG115D, ARG141A, ARG141D, ARG149A, ARG149D, ASP116A, ASP116D, ASP154A, ASP154D, ASP358D, GLU136A, GLU136D, GLU155A, GLU155D, GLU359A, GLU359D, GLY139A, GLY139D, GLY153A, GLY153D, GLY156A, GLY156D, HIS374D, ILE140A, ILE140D, LEU138A, LEU138D, LEU364A, LEU364D, LYS367A, LYS367D, PHE158A, PHE158D, PRO303D, SER113A, SER113D, THR360A, THR360D
• A-E: ALA285A, ALA292A, ARG18A, ARG283A, ARG297E, GLU281A, GLU287A, GLU287E, HIS374E, HIS375E, LEU286A, LEU289A, LEU290A, PRO291A, THR288A, TYR353E, VAL284A, VAL373E
• A-F: ALA151A, ALA24F, ALA292F, ARG13F, ARG159A, ARG195A, ARG196A, ARG220A, ARG347F, ASN342F, ASP162A, ASP180A, GLN166A, GLU14F, GLU163A, GLU167A, GLU191A, GLU294F, GLU335F, GLU345F, GLY181A, LEU260F, LEU289F, LEU290F, LEU344F, LYS184A, LYS198A, LYS23F, LYS338F, LYS341F, PRO10F, PRO147A, PRO182A, PRO291F, PRO293F, THR160A, THR192A, TYR11F, TYR183A, TYR343F, VAL22F
• A-H: ALA107A, ALA107H, ALA292A, ALA292H, ALA313A, ALA313H, ALA324A, ALA324H, ARG109A, ARG109H, ARG297A, ARG297H, ARG311A, ARG311H, ARG320A, ARG320H, ARG321A, ARG321H, ARG327A, ARG327H, ARG346A, ARG346H, ARG347A, ARG347H, ASP110A, ASP110H, ASP305A, ASP305H, ASP318A, ASP318H, ASP322A, ASP322H, ASP323A, ASP323H, ASP357A, ASP357H, CYS356A, CYS356H, GLU108A, GLU108H, GLU294A, GLU294H, GLU345A, GLU345H, GLY111A, GLY111H, GLY296A, GLY296H, GLY302A, GLY302H, HIS301A, HIS301H, HIS314A, HIS314H, HIS375A, HIS375H, ILE250H, ILE298A, ILE298H, LEU106A, LEU106H, LEU300A, LEU300H, LEU304A, LEU304H, LEU309A, LEU309H, LEU312A, LEU312H, LEU315A, LEU315H, LEU344A, LEU344H, LEU352A, LEU352H, LEU365A, LEU365H, LYS310A, LYS310H, LYS328A, LYS328H, PHE112A, PHE112H, PHE295A, PHE295H, PRO291A, PRO291H, PRO293A, PRO293H, PRO303A, PRO303H, PRO307A, PRO307H, PRO325A, PRO325H, SER228A, SER351A, SER351H, THR299A, THR299H, THR308A, THR308H, TYR317A, TYR317H, TYR353A, TYR353H, VAL316A, VAL316H, VAL319A, VAL319H, VAL354A, VAL354H
• B-D: ALA361B, ARG115D, ARG117D, ARG141D, ASP116D, ASP169D, ASP305B, ASP357B, ASP358B, GLN166D, GLU167D, GLU359B, GLY111D, GLY302B, HIS301B, HIS374B, LYS198D, PHE112D, PRO199D, PRO303B, PRO376B, SER113D, THR118D, THR360B
• B-E: ALA107B, ALA107E, ALA292B, ALA292E, ALA313B, ALA313E, ALA324B, ALA324E, ARG109B, ARG109E, ARG297B, ARG297E, ARG311B, ARG311E, ARG320B, ARG320E, ARG321B, ARG321E, ARG327B, ARG327E, ARG346B, ARG346E, ARG347B, ARG347E, ASP110B, ASP110E, ASP305B, ASP305E, ASP318B, ASP318E, ASP322B, ASP322E, ASP323B, ASP323E, ASP357B, ASP357E, CYS356B, CYS356E, GLU108B, GLU108E, GLU294B, GLU294E, GLU345B, GLU345E, GLY111B, GLY111E, GLY296B, GLY296E, GLY302B, GLY302E, HIS301B, HIS301E, HIS314B, HIS314E, HIS375B, ILE250E, ILE298B, ILE298E, LEU106B, LEU106E, LEU300B, LEU300E, LEU304B, LEU304E, LEU309B, LEU309E, LEU312B, LEU312E, LEU315B, LEU315E, LEU344B, LEU344E, LEU352B, LEU352E, LEU365B, LEU365E, LYS310B, LYS310E, LYS328B, LYS328E, PHE112B, PHE112E, PHE295B, PHE295E, PRO291B, PRO291E, PRO293B, PRO293E, PRO303B, PRO303E, PRO307B, PRO307E, PRO325B, PRO325E, SER113B, SER351B, SER351E, THR299B, THR299E, THR308B, THR308E, TYR317B, TYR317E, TYR353B, TYR353E, VAL316B, VAL316E, VAL319B, VAL319E, VAL354B, VAL354E
• B-G: ALA137B, ALA330G, ARG115B, ARG117B, ARG141B, ARG159B, ASP157B, ASP239G, ASP337G, GLN132B, GLU136B, GLU155B, GLU163B, GLU167B, GLU335G, GLY139B, GLY156B, GLY331G, GLY334G, ILE119B, ILE140B, ILE332G, LEU135B, LEU138B, LEU143B, LEU144B, LYS328G, LYS338G, LYS341G, LYS367B, PHE336G, PRO238G, PRO333G, THR118B, THR133B, THR142B, VAL242G, VAL329G
• B-H: ALA276B, ALA285B, ALA292B, ARG18B, ARG280B, ARG283H, ARG297H, ASN371B, GLN282B, GLU281B, GLU287B, GLY279B, HIS374H, HIS375H, ILE278B, LEU289B, LEU290B, PRO291B, PRO376H, SER275B, THR288B, TYR353H, VAL284B, VAL373H
• C-D: ALA361C, ALA361D, ALA362C, ALA362D, ALA363C, ALA363D, ALA372C, ALA372D, ALA377D, ARG297C, ARG297D, ASN371C, ASN371D, ASP358C, ASP358D, CYS356C, CYS356D, CYS366C, CYS366D, GLU287C, GLU359C, GLU359D, GLY369C, HIS374C, HIS374D, HIS375C, HIS375D, LEU364C, LEU364D, LEU365C, LEU365D, LYS367C, LYS367D, PHE370C, PHE370D, PRO376C, PRO376D, THR360C, THR360D, TYR353C, TYR353D, VAL354C, VAL354D, VAL373C, VAL373D
• C-F: ALA107C, ALA107F, ALA292C, ALA292F, ALA313C, ALA313F, ALA324C, ALA324F, ARG109C, ARG109F, ARG297C, ARG297F, ARG311C, ARG311F, ARG320C, ARG320F, ARG321C, ARG321F, ARG327C, ARG327F, ARG346C, ARG346F, ARG347C, ARG347F, ASP110C, ASP110F, ASP116F, ASP305C, ASP305F, ASP318C, ASP318F, ASP322C, ASP322F, ASP323C, ASP323F, ASP357C, ASP357F, CYS356C, CYS356F, GLU108C, GLU108F, GLU294C, GLU294F, GLU345C, GLU345F, GLY111C, GLY111F, GLY296C, GLY296F, GLY302C, GLY302F, HIS301C, HIS301F, HIS314C, HIS314F, HIS375F, ILE250C, ILE250F, ILE298C, ILE298F, LEU106C, LEU106F, LEU300C, LEU300F, LEU304C, LEU304F, LEU309C, LEU309F, LEU312C, LEU312F, LEU315C, LEU315F, LEU344C, LEU344F, LEU352C, LEU352F, LEU365C, LEU365F, LYS310C, LYS310F, LYS328C, LYS328F, PHE112C, PHE112F, PHE295C, PHE295F, PRO291C, PRO291F, PRO293C, PRO293F, PRO303C, PRO303F, PRO307C, PRO307F, PRO325C, PRO325F, SER113C, SER113F, SER351C, SER351F, THR299C, THR299F, THR308C, THR308F, TYR317C, TYR317F, TYR353C, TYR353F, VAL316C, VAL316F, VAL319C, VAL319F, VAL354C, VAL354F
• C-G: ALA276C, ALA285C, ALA285G, ARG18C, ARG283C, ARG283G, ARG297G, GLU281C, GLU287C, GLU287G, GLY279C, HIS374G, HIS375G, ILE278C, SER275C, THR288C, THR288G, TYR353G, VAL284C, VAL373G
• C-H: ALA330H, ARG115C, ARG141C, ARG159C, ASN342H, ASP157C, ASP239H, ASP337H, GLN132C, GLU136C, GLU155C, GLU163C, GLU167C, GLU335H, GLY139C, GLY156C, GLY331H, GLY334H, ILE140C, ILE332H, LEU143C, LEU144C, LEU164C, LEU240H, LYS328H, LYS338H, LYS341H, PHE158C, PHE336H, PRO238H, PRO333H, THR118C, THR133C, THR142C, VAL242H, VAL329H
• D-E: ALA12E, ALA189D, ALA24E, ALA264E, ALA292E, ARG13E, ARG141D, ARG159D, ARG18E, ARG195D, ARG196D, ARG220D, ARG347E, ASN342E, ASN8E, ASP162D, ASP180D, ASP190D, ASP6E, CYS145D, GLN166D, GLU14E, GLU163D, GLU167D, GLU191D, GLU21E, GLU345E, GLU7E, GLY181D, GLY20E, HIS187D, LEU15E, LEU161D, LEU186D, LEU188D, LEU193D, LEU260E, LEU289E, LEU290E, LEU344E, LYS179D, LYS184D, LYS198D, LYS23E, LYS338E, LYS341E, PRO10E, PRO147D, PRO182D, PRO199D, PRO26E, PRO291E, PRO293E, SER17E, THR160D, THR185D, THR192D, THR288E, TYR11E, TYR183D, VAL165D, VAL22E, VAL25E
• D-F: ALA285D, ALA292D, ARG18D, ARG283D, ARG297F, GLN282D, GLU281D, GLU287D, GLU287F, HIS374F, HIS375F, LEU286D, LEU289D, LEU290D, PRO291D, PRO376F, THR288D, THR288F, TYR353F, VAL284D, VAL373F
• D-G: ALA107G, ALA292D, ALA292G, ALA313D, ALA313G, ALA324D, ALA324G, ARG109D, ARG109G, ARG297D, ARG297G, ARG311D, ARG311G, ARG320D, ARG320G, ARG321D, ARG321G, ARG327D, ARG327G, ARG346D, ARG346G, ARG347D, ARG347G, ASP110D, ASP110G, ASP305D, ASP305G, ASP318D, ASP318G, ASP322D, ASP322G, ASP323D, ASP323G, ASP357D, ASP357G, CYS356D, CYS356G, GLU108D, GLU108G, GLU294D, GLU294G, GLU345D, GLU345G, GLY111D, GLY111G, GLY296D, GLY296G, GLY302D, GLY302G, HIS301D, HIS301G, HIS314D, HIS314G, HIS375D, HIS375G, ILE250D, ILE250G, ILE298D, ILE298G, LEU106D, LEU106G, LEU300D, LEU300G, LEU304D, LEU304G, LEU309D, LEU309G, LEU312D, LEU312G, LEU315D, LEU315G, LEU344D, LEU344G, LEU352D, LEU352G, LEU365D, LEU365G, LYS310D, LYS310G, LYS328D, LYS328G, PHE112D, PHE112G, PHE295D, PHE295G, PRO291D, PRO291G, PRO293D, PRO293G, PRO303D, PRO303G, PRO307D, PRO307G, PRO325D, PRO325G, SER351D, SER351G, THR299D, THR299G, THR308D, THR308G, TYR317D, TYR317G, TYR353D, TYR353G, VAL316D, VAL316G, VAL319D, VAL319G, VAL354D, VAL354G
• G-H: ALA0H, ALA24H, ARG13G, ARG13H, ARG18H, ASN-1H, GLU21G, GLU21H, GLU33G, GLU34G, GLU34H, GLY20G, GLY20H, HIS37G, LEU4H, LYS23G, LYS23H, LYS2G, LYS2H, SER17G, SER17H, VAL22G, VAL22H, VAL25H