3GGP

crystal structure of prephenate dehydrogenase from a. aeolicus in complex with hydroxyphenyl propionate and nad+

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 248
  • Norm. En. per Res.: -5.9319
• 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-C	-129.5693	-189.0204	-1152.52	-1471.1097	248	57	64	50237	16	126	141
A-D	0.0	-0.428	-4.6333	-5.0613	9	0	0	348	0	9	5
B-C	-6.0813	-20.6667	-24.5937	-51.3417	14	0	1	795	1	7	10
B-D	-80.1646	-152.2058	-1142.75	-1375.1203	243	40	59	49401	14	121	135
C-D	0.0	-16.1849	-15.1325	-31.3174	17	0	0	605	1	11	14

Interface residues

• A-C: ALA150A, ALA150C, ALA218A, ALA218C, ALA220A, ALA220C, ALA222A, ALA222C, ALA252A, ALA252C, ALA273A, ALA273C, ALA292A, ALA292C, ARG102A, ARG102C, ARG250A, ARG250C, ARG260A, ARG260C, ARG290A, ARG290C, ARG307A, ARG307C, ASN266A, ASN266C, ASN269A, ASN269C, ASN282A, ASN282C, ASP225A, ASP225C, ASP236A, ASP236C, ASP247A, ASP247C, ASP255A, ASP255C, ASP261A, ASP261C, ASP311A, GLU153A, GLU153C, GLU198A, GLU198C, GLU234A, GLU234C, GLU265A, GLU265C, GLU268A, GLU268C, GLU275A, GLU275C, GLU278A, GLU278C, GLU286A, GLU286C, GLU291A, GLU291C, GLU293A, GLU293C, GLU294A, GLU294C, GLU295A, GLU295C, GLU298A, GLU298C, GLU302A, GLU302C, GLU309A, GLU309C, GLY151A, GLY151C, GLY210A, GLY210C, GLY242A, GLY242C, GLY243A, GLY243C, GLY244A, GLY244C, GLY276A, GLY276C, HIS147A, HIS147C, HIS205A, HIS205C, HIS214A, HIS214C, HIS217A, HIS217C, HIS229A, HIS229C, HIS283A, HIS283C, ILE149A, ILE149C, ILE171A, ILE171C, ILE228A, ILE228C, ILE251A, ILE251C, ILE257A, ILE257C, ILE262A, ILE262C, ILE274A, ILE274C, ILE288A, ILE288C, ILE305A, ILE305C, ILE310A, ILE310C, LEU204A, LEU204C, LEU215A, LEU215C, LEU223A, LEU223C, LEU227A, LEU227C, LEU237A, LEU237C, LEU264A, LEU264C, LEU281A, LEU281C, LEU284A, LEU284C, LEU287A, LEU287C, LEU296A, LEU296C, LEU300A, LEU300C, LYS154A, LYS154C, LYS168A, LYS168C, LYS169A, LYS169C, LYS239A, LYS239C, LYS246A, LYS246C, LYS253A, LYS253C, LYS267A, LYS267C, LYS272A, LYS272C, LYS279A, LYS279C, LYS285A, LYS285C, LYS301A, LYS301C, LYS304A, LYS304C, LYS306A, LYS306C, MET200A, MET200C, MET230A, MET230C, MET258A, MET258C, MET271A, MET271C, MET308A, MET308C, PHE209A, PHE209C, PHE221A, PHE221C, PHE238A, PHE238C, PHE245A, PHE245C, PHE248A, PHE248C, PHE263A, PHE263C, PHE277A, PHE277C, PRO148A, PRO148C, PRO216A, PRO216C, PRO233A, PRO241A, PRO241C, PRO256A, PRO256C, SER155A, SER155C, SER201A, SER213A, SER213C, SER231A, SER231C, SER254A, SER254C, SER280A, SER280C, THR152A, THR152C, THR226A, THR226C, THR232A, THR232C, THR249A, THR249C, TRP259A, TRP259C, TYR159C, TYR199A, TYR199C, TYR207A, TYR207C, TYR240A, TYR240C, TYR299A, TYR299C, VAL170A, VAL170C, VAL208A, VAL208C, VAL211A, VAL211C, VAL212A, VAL212C, VAL219A, VAL219C, VAL224A, VAL224C, VAL235A, VAL235C, VAL270A, VAL270C, VAL289A, VAL289C, VAL297A, VAL297C, VAL303A, VAL303C
• A-D: ALA292A, ARG290A, ASN137D, GLU291A, GLU293A, GLU294A, GLU295A, LYS176D, LYS177D
• B-C: ALA292B, ALA85C, ARG290B, GLU286B, GLU291B, GLU88C, ILE114C, ILE288B, ILE84C, LYS109C, LYS110C, SER112C, TYR113C, VAL289B
• B-D: ALA150B, ALA150D, ALA218B, ALA218D, ALA220B, ALA220D, ALA222B, ALA222D, ALA252B, ALA252D, ALA273B, ALA273D, ALA292B, ALA292D, ARG102B, ARG102D, ARG250B, ARG250D, ARG260B, ARG260D, ARG290B, ARG290D, ARG307B, ARG307D, ASN266B, ASN266D, ASN269B, ASN269D, ASN282B, ASN282D, ASP225B, ASP225D, ASP236B, ASP236D, ASP247B, ASP247D, ASP255B, ASP255D, ASP261B, ASP261D, ASP311D, GLU153B, GLU153D, GLU198B, GLU198D, GLU234B, GLU234D, GLU265B, GLU265D, GLU268B, GLU268D, GLU275B, GLU275D, GLU278B, GLU278D, GLU286B, GLU286D, GLU291B, GLU291D, GLU293B, GLU293D, GLU294B, GLU294D, GLU295B, GLU295D, GLU298B, GLU298D, GLU302B, GLU302D, GLU309B, GLU309D, GLY151B, GLY151D, GLY210B, GLY210D, GLY242B, GLY242D, GLY243B, GLY243D, GLY244B, GLY244D, GLY276B, GLY276D, HIS147B, HIS147D, HIS205B, HIS205D, HIS214B, HIS214D, HIS217B, HIS217D, HIS229B, HIS229D, HIS283B, HIS283D, ILE149B, ILE149D, ILE171B, ILE171D, ILE228B, ILE228D, ILE251B, ILE251D, ILE257B, ILE257D, ILE262B, ILE262D, ILE274B, ILE274D, ILE288B, ILE288D, ILE305B, ILE305D, ILE310D, LEU204B, LEU204D, LEU215B, LEU215D, LEU223B, LEU223D, LEU227B, LEU227D, LEU237B, LEU237D, LEU264B, LEU264D, LEU281B, LEU281D, LEU284B, LEU284D, LEU287B, LEU287D, LEU296B, LEU296D, LEU300B, LEU300D, LYS154B, LYS168B, LYS168D, LYS169B, LYS169D, LYS239B, LYS239D, LYS246B, LYS246D, LYS253B, LYS253D, LYS267B, LYS267D, LYS272B, LYS272D, LYS279B, LYS279D, LYS285B, LYS285D, LYS301B, LYS301D, LYS304B, LYS304D, LYS306B, LYS306D, MET200B, MET200D, MET230B, MET230D, MET258B, MET258D, MET271B, MET271D, MET308B, MET308D, PHE209B, PHE209D, PHE221B, PHE221D, PHE238B, PHE238D, PHE245B, PHE245D, PHE248B, PHE248D, PHE263B, PHE263D, PHE277B, PHE277D, PRO148B, PRO216B, PRO216D, PRO241B, PRO241D, PRO256B, PRO256D, SER126B, SER155B, SER213B, SER213D, SER231B, SER231D, SER254B, SER254D, SER280B, SER280D, THR152B, THR152D, THR226B, THR226D, THR232B, THR232D, THR249B, THR249D, TRP259B, TRP259D, TYR159B, TYR199B, TYR199D, TYR207B, TYR207D, TYR240B, TYR240D, TYR299B, TYR299D, VAL170B, VAL170D, VAL208B, VAL208D, VAL211B, VAL211D, VAL212B, VAL212D, VAL219B, VAL219D, VAL224B, VAL224D, VAL235B, VAL235D, VAL270B, VAL270D, VAL289B, VAL289D, VAL297B, VAL297D, VAL303B, VAL303D
• C-D: ARG102C, GLU106C, GLU265D, GLU268D, ILE114C, ILE138C, LEU264C, LEU264D, LYS109C, LYS110C, LYS130D, LYS176D, LYS267D, LYS272D, MET271D, SER112C, TYR113C