1VR6

crystal structure of phospho-2-dehydro-3-deoxyheptonate aldolase (dahp synthase) (tm0343) from thermotoga maritima at 1.92 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 195
  • Norm. En. per Res.: -3.096
• 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	-49.3884	39.1261	-336.235	-346.4973	130	12	21	16139	2	35	40
A-C	-147.211	-72.3567	-384.144	-603.7117	195	32	1	15674	19	106	96
A-D	-15.9697	2.1473	-198.674	-212.4964	101	3	9	8795	9	46	61
B-C	-22.6788	18.8484	-205.664	-209.4944	100	6	9	9242	7	47	61
B-D	-65.9734	-16.6122	-213.037	-295.6226	144	22	0	8880	13	100	84
C-D	-38.3188	36.282	-326.442	-328.4787	133	10	21	16001	3	35	42

Interface residues

• A-B: ALA245A, ALA245B, ALA254A, ALA254B, ALA286A, ALA286B, ALA287A, ALA287B, ALA289A, ALA289B, ALA292A, ALA292B, ALA330A, ALA330B, ALA332A, ALA332B, ARG208A, ARG208B, ARG240A, ARG240B, ARG247A, ARG247B, ARG259A, ARG259B, ARG276A, ARG276B, ARG285A, ARG285B, ASN212A, ASN212B, ASN248A, ASN248B, ASP251A, ASP251B, ASP278A, ASP278B, ASP331A, ASP331B, GLU215A, GLU215B, GLU216A, GLU216B, GLU236B, GLU243A, GLU243B, GLU261A, GLU261B, GLU325A, GLU325B, GLY209A, GLY209B, GLY238A, GLY238B, GLY274A, GLY274B, GLY291A, GLY291B, GLY334A, GLY334B, ILE214A, ILE214B, ILE239A, ILE239B, ILE252A, ILE252B, ILE257A, ILE257B, ILE258A, ILE258B, ILE281A, ILE281B, ILE288A, ILE288B, LEU250A, LEU250B, LEU279A, LEU279B, LEU283A, LEU283B, LEU329A, LEU329B, LEU333A, LEU333B, LYS244A, LYS244B, LYS260A, LYS260B, LYS327A, LYS327B, LYS328A, LYS328B, MET211A, MET211B, MET326A, MET326B, PHE210A, PHE210B, PHE217A, PHE217B, PHE242A, PHE242B, PRO256A, PRO256B, PRO270A, PRO282A, PRO282B, SER253A, SER253B, SER273A, SER273B, SER284A, SER284B, THR213A, THR213B, THR241A, THR241B, THR246A, THR246B, THR249A, THR249B, VAL255A, VAL255B, VAL268A, VAL268B, VAL280A, VAL280B, VAL290A, VAL290B, VAL335A, VAL335B
• A-C: ALA129A, ALA129C, ALA165A, ALA165C, ALA185A, ALA185C, ALA188A, ALA188C, ALA225C, ALA306A, ALA306C, ALA50A, ALA50C, ARG133A, ARG133C, ARG186A, ARG186C, ARG192A, ARG192C, ARG208C, ARG240A, ARG240C, ARG247C, ARG276A, ARG276C, ARG277A, ARG277C, ARG46A, ARG46C, ARG64A, ARG64C, ASN187A, ASN187C, ASN190A, ASN190C, ASN212A, ASN212C, ASN226A, ASN226C, ASN248A, ASP169A, ASP169C, ASP170A, ASP170C, ASP278A, ASP278C, ASP309A, ASP309C, ASP315A, ASP315C, ASP45C, ASP51A, ASP51C, ASP57A, ASP57C, CYS58A, CYS58C, GLN140A, GLN140C, GLN189A, GLN189C, GLN312A, GLN312C, GLU105C, GLU164A, GLU164C, GLU168A, GLU168C, GLU215C, GLU216A, GLU216C, GLU222A, GLU222C, GLU302A, GLU302C, GLU304A, GLU304C, GLU54A, GLU54C, GLU60A, GLU60C, GLY143A, GLY143C, GLY167A, GLY167C, GLY209A, GLY209C, GLY228C, GLY275A, GLY275C, GLY310A, GLY310C, HIS-1C, HIS-3A, HIS-3C, HIS-4C, ILE214A, ILE214C, ILE239A, LEU166A, LEU166C, LEU171A, LEU171C, LEU193A, LEU193C, LEU194A, LEU194C, LEU20A, LEU20C, LEU219A, LEU219C, LEU307A, LEU307C, LEU318A, LEU318C, LEU56A, LEU56C, LEU71C, LYS131A, LYS131C, LYS16A, LYS16C, LYS196A, LYS196C, LYS244A, LYS244C, LYS305A, LYS305C, LYS311A, LYS311C, LYS52A, LYS52C, LYS6A, LYS6C, MET211A, MET211C, PHE139A, PHE139C, PHE191A, PHE191C, PHE210A, PHE210C, PHE217C, PHE242A, PHE242C, PHE53A, PHE53C, PRO132A, PRO132C, PRO136A, PRO303A, PRO303C, PRO68A, PRO68C, SER103C, SER135A, SER138A, SER195A, SER195C, SER227A, SER227C, SER23A, SER308A, SER308C, SER313A, SER313C, SER55A, SER55C, SER61A, SER61C, THR134A, THR134C, THR213A, THR213C, THR241A, THR241C, TYR130A, TYR130C, TYR137A, TYR223A, TYR223C, TYR24A, TYR24C, TYR47A, TYR47C, TYR69A, TYR69C, VAL174C, VAL48A, VAL48C, VAL49C, VAL59A, VAL59C, VAL62A, VAL62C
• A-D: ARG240A, ARG240D, ARG36A, ARG36D, ARG64A, ARG64D, ASP44A, ASP44D, CB9.73812-6.60777, CYS28A, GLN34A, GLN34D, GLU243A, GLU243D, GLU261A, GLU261D, GLU35A, GLU35D, GLU60A, GLU60D, GLU75A, GLU75D, GLY33A, GLY33D, GLY40A, GLY40D, GLY43A, GLY43D, GLY8A, GLY8D, HIS-1A, HIS-1D, HIS-2A, HIS-2D, HIS-3A, HIS-4A, HIS-4A5, HIS0A, HIS0D, HIS29A, HIS29D, ILE2A, ILE2D, ILE30A, ILE30D, ILE39A, ILE39D, ILE42A, ILE42D, LEU5A, LEU5D, LEU66A, LEU66D, LYS244A, LYS244D, LYS260A, LYS260D, LYS32A, LYS32D, LYS67A, LYS67D, LYS6A, LYS6D, LYS70A, LYS70D, MET1A, MET1D, MET211A, MET211D, PHE210A, PHE210D, PHE242A, PHE242D, PHE76A, PHE76D, PRO7A, PRO7D, SER31A, SER31D, SER61A, SER61D, SER73A, SER73D, THR241A, THR241D, THR246D, THR37A, THR37D, TYR69D, VAL38A, VAL38D, VAL3A, VAL3D, VAL4A, VAL4D, VAL62A, VAL62D, VAL63A, VAL63D, VAL65A, VAL65D
• B-C: ARG240B, ARG240C, ARG36B, ARG36C, ARG64B, ARG64C, ARG74B, ASP44B, ASP44C, CYS28B, CYS28C, GLN34B, GLN34C, GLU243B, GLU243C, GLU261B, GLU261C, GLU35B, GLU35C, GLU60B, GLU60C, GLU75B, GLU75C, GLY33B, GLY33C, GLY40B, GLY40C, GLY43B, GLY43C, GLY8C, HIS-1B, HIS-1C, HIS-2B, HIS-2C, HIS-3B, HIS-3C, HIS-4C, HIS0B, HIS0C, HIS29B, HIS29C, ILE2B, ILE2C, ILE30B, ILE30C, ILE39B, ILE39C, ILE41C, ILE42B, ILE42C, LEU5B, LEU5C, LEU66B, LEU66C, LYS244B, LYS244C, LYS260B, LYS260C, LYS32B, LYS32C, LYS67B, LYS67C, LYS6B, LYS6C, LYS70B, LYS70C, MET1B, MET1C, MET211B, MET211C, PHE210B, PHE210C, PHE242B, PHE242C, PHE76B, PRO7B, PRO7C, SER31B, SER31C, SER61B, SER61C, SER73B, SER73C, THR241B, THR241C, THR37B, THR37C, TYR69B, VAL38B, VAL38C, VAL3B, VAL3C, VAL4B, VAL4C, VAL62B, VAL62C, VAL63B, VAL63C, VAL65B, VAL65C
• B-D: ALA188B, ALA188D, ALA306B, ALA306D, ALA50B, ALA50D, ARG133B, ARG133D, ARG186B, ARG186D, ARG192B, ARG192D, ARG240B, ARG240D, ARG276B, ARG276D, ARG277B, ARG277D, ARG46B, ARG46D, ARG64B, ARG64D, ASN187B, ASN187D, ASN190B, ASN190D, ASN212B, ASN212D, ASN226B, ASN226D, ASP13B, ASP169B, ASP169D, ASP278B, ASP278D, ASP309B, ASP309D, ASP315D, ASP51B, ASP51D, ASP57B, ASP57D, CYS58B, CYS58D, GLN189B, GLN189D, GLN312B, GLN312D, GLU105D, GLU168B, GLU168D, GLU216B, GLU216D, GLU222B, GLU302B, GLU302D, GLU304B, GLU304D, GLU54B, GLU54D, GLU60B, GLU60D, GLY167B, GLY167D, GLY209B, GLY209D, GLY275B, GLY275D, GLY310B, GLY310D, HIS300D, ILE214B, ILE214D, LEU166B, LEU166D, LEU194D, LEU20B, LEU20D, LEU219B, LEU219D, LEU307B, LEU307D, LEU318B, LEU318D, LEU56B, LEU56D, LYS16B, LYS16D, LYS244B, LYS305B, LYS305D, LYS311B, LYS311D, LYS52B, LYS52D, LYS6B, LYS6D, MET211B, MET211D, PHE139D, PHE191B, PHE191D, PHE210B, PHE210D, PHE242B, PHE242D, PHE53B, PHE53D, PRO132B, PRO132D, PRO136D, PRO303B, PRO303D, PRO68B, SER135D, SER138B, SER138D, SER195B, SER195D, SER220D, SER308B, SER308D, SER313B, SER313D, SER55B, SER55D, SER61B, SER61D, THR134D, THR213B, THR213D, TYR223B, TYR223D, TYR24B, TYR24D, TYR47B, TYR47D, VAL48B, VAL48D, VAL49D, VAL59B, VAL59D, VAL62B, VAL62D
• C-D: ALA245C, ALA245D, ALA254C, ALA254D, ALA286C, ALA286D, ALA287C, ALA287D, ALA289C, ALA289D, ALA292C, ALA292D, ALA330C, ALA330D, ALA332C, ALA332D, ARG208C, ARG208D, ARG240C, ARG240D, ARG247C, ARG247D, ARG259C, ARG259D, ARG276C, ARG276D, ARG285C, ARG285D, ARG64C, ASN212C, ASN212D, ASN248C, ASN248D, ASP251C, ASP251D, ASP278C, ASP278D, ASP331C, ASP331D, GLU215C, GLU215D, GLU216C, GLU216D, GLU236C, GLU236D, GLU243C, GLU243D, GLU261C, GLU261D, GLU325C, GLU325D, GLY209C, GLY209D, GLY238C, GLY238D, GLY274C, GLY274D, GLY291C, GLY291D, GLY334C, GLY334D, ILE214C, ILE214D, ILE239C, ILE239D, ILE252C, ILE252D, ILE257C, ILE257D, ILE258C, ILE258D, ILE281C, ILE281D, ILE288C, ILE288D, LEU219C, LEU250C, LEU250D, LEU279C, LEU279D, LEU283C, LEU283D, LEU329C, LEU329D, LEU333C, LEU333D, LYS244C, LYS244D, LYS260C, LYS260D, LYS327C, LYS327D, LYS328C, LYS328D, MET211C, MET211D, MET326C, MET326D, PHE210C, PHE210D, PHE217C, PHE217D, PHE242C, PHE242D, PRO256C, PRO256D, PRO270C, PRO282C, PRO282D, PRO68C, SER253C, SER253D, SER273C, SER273D, SER284C, SER284D, THR213C, THR213D, THR241C, THR241D, THR246C, THR246D, THR249C, THR249D, TYR69C, VAL255C, VAL255D, VAL268C, VAL268D, VAL280C, VAL290C, VAL290D, VAL335D