1VS1

crystal structure of 3-deoxy-d-arabino-heptulosonate-7- phosphate synthase (dahp synthase) from aeropyrum pernix in complex with mn2+ and pep

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 127
  • Norm. En. per Res.: -3.6827
• 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	0.0	-11.9619	-48.2416	-60.2035	20	0	1	1493	0	4	2
A-C	-39.2943	-50.6157	-377.787	-467.697	127	12	1	14395	12	38	33
A-D	-48.6135	11.7864	-395.282	-432.1091	137	11	27	16429	7	26	38
B-C	-43.0369	17.1836	-372.387	-398.2403	130	26	32	16304	5	30	39
B-D	-37.4228	-65.2013	-365.893	-468.5171	128	5	2	14124	10	38	34
C-D	0.0	-11.5772	-46.5883	-58.1655	23	0	1	1524	0	2	2

Interface residues

• A-B: ARG184A, ARG184B, ARG191A, ARG191B, GLU187A, GLU187B, GLY155A, GLY155B, ILE183A, ILE183B, PHE154A, PHE154B, PHE186A, PHE186B, PHE192A, PHE192B, PRO188A, PRO188B, THR185A, THR185B
• A-C: ALA129A, ALA129C, ALA163A, ALA163C, ALA164A, ALA164C, ALA165A, ALA165C, ALA16A, ALA16C, ARG113A, ARG113C, ARG130A, ARG130C, ARG139A, ARG139C, ARG143A, ARG143C, ARG152A, ARG152C, ARG184A, ARG184C, ARG191A, ARG191C, ARG77A, ARG77C, ASN131A, ASN131C, ASN134A, ASN134C, ASN156A, ASN156C, ASP111A, ASP111C, GLN133A, GLN133C, GLN84A, GLN84C, GLU108A, GLU108C, GLU140A, GLU140C, GLU159A, GLU159C, GLU160A, GLU160C, GLU166A, GLU166C, GLU171A, GLU171C, GLY12A, GLY12C, GLY153A, GLY153C, GLY155A, GLY155C, HIS114A, HIS114C, ILE168A, ILE168C, ILE183A, ILE183C, LEU110A, LEU110C, LEU137A, LEU137C, LEU138A, LEU138C, LEU15A, LEU15C, LEU161A, LEU161C, LEU162A, LEU162C, LEU169A, LEU169C, LEU170A, LEU170C, LYS11A, LYS11C, LYS14A, LYS14C, LYS75A, LYS75C, MET132A, MET132C, PHE135A, PHE135C, PHE154A, PHE154C, PHE186A, PHE186C, PHE192A, PHE192C, PHE74A, PHE74C, PHE83A, PRO112A, PRO112C, PRO136A, PRO136C, PRO76A, PRO76C, PRO80A, PRO80C, SER79A, SER79C, SER82A, SER82C, THR157A, THR157C, THR185A, THR185C, THR78A, THR78C, TYR167A, TYR167C, TYR81A, TYR81C, VAL109A, VAL109C, VAL115A, VAL115C, VAL13A, VAL13C, VAL158A, VAL158C
• A-D: ALA197A, ALA197D, ALA198A, ALA198D, ALA200A, ALA200D, ALA205A, ALA205D, ALA218A, ALA218D, ALA226A, ALA226D, ALA228A, ALA228D, ALA230A, ALA230D, ALA233A, ALA233D, ALA234A, ALA234D, ALA236A, ALA236D, ALA8A, ALA8D, ARG152A, ARG152D, ARG184A, ARG184D, ARG191A, ARG191D, ARG220A, ARG220D, ARG221A, ARG221D, ARG271A, ARG271D, ARG274A, ARG274D, ASN156A, ASN156D, ASP195A, ASP195D, GLU159A, GLU159D, GLU160A, GLU160D, GLU180A, GLU180D, GLU187A, GLU187D, GLU204A, GLU204D, GLU269A, GLU269D, GLY153A, GLY153D, GLY155A, GLY155D, GLY182A, GLY182D, GLY231A, GLY231D, GLY235A, GLY235D, GLY9A, GLY9D, HIS273A, HIS273D, ILE183A, ILE183D, LEU161A, LEU161D, LEU162A, LEU194A, LEU194D, LEU202A, LEU202D, LEU223A, LEU223D, LEU227A, LEU227D, LEU232A, LEU232D, LEU270A, LEU270D, LEU275A, LEU275D, LEU276A, LEU276D, LYS203A, LYS203D, LYS229A, LYS229D, LYS255D, LYS39A, LYS39D, PHE10A, PHE10D, PHE154A, PHE154D, PHE186A, PHE186D, PHE192A, PHE192D, PRO188A, PRO188D, PRO217A, PRO217D, PRO225A, PRO225D, SER189A, SER189D, SER222A, SER222D, THR157A, THR157D, THR185A, THR185D, THR190A, THR190D, THR193A, THR193D, TRP272A, TRP272D, VAL158A, VAL158D, VAL196A, VAL196D, VAL199A, VAL199D, VAL201A, VAL201D, VAL212A, VAL212D, VAL224A, VAL224D, VAL7A
• B-C: ALA197B, ALA197C, ALA198B, ALA198C, ALA200B, ALA200C, ALA205B, ALA205C, ALA218B, ALA218C, ALA226B, ALA226C, ALA228B, ALA228C, ALA230B, ALA230C, ALA233B, ALA233C, ALA234B, ALA234C, ALA236B, ALA236C, ARG152B, ARG152C, ARG184B, ARG184C, ARG191B, ARG191C, ARG220B, ARG220C, ARG221B, ARG221C, ARG271B, ARG271C, ARG274B, ARG274C, ASN156B, ASN156C, ASP195B, ASP195C, GLU159B, GLU159C, GLU160B, GLU160C, GLU180B, GLU180C, GLU187B, GLU187C, GLU204B, GLU204C, GLU269B, GLU269C, GLY153B, GLY153C, GLY155B, GLY155C, GLY182B, GLY182C, GLY231B, GLY231C, GLY235B, GLY235C, HIS273B, HIS273C, ILE183B, ILE183C, LEU161B, LEU161C, LEU194B, LEU194C, LEU202B, LEU202C, LEU223B, LEU223C, LEU227B, LEU227C, LEU232B, LEU232C, LEU270B, LEU270C, LEU275B, LEU275C, LEU276B, LEU276C, LYS203B, LYS203C, LYS229B, LYS229C, LYS39B, LYS39C, PHE10B, PHE10C, PHE154B, PHE154C, PHE186B, PHE186C, PHE192B, PHE192C, PRO188B, PRO188C, PRO217B, PRO217C, PRO225B, PRO225C, SER189B, SER189C, SER222B, SER222C, THR157B, THR157C, THR185B, THR185C, THR190B, THR190C, THR193B, THR193C, TRP272B, TRP272C, VAL158B, VAL158C, VAL196B, VAL196C, VAL199B, VAL199C, VAL201B, VAL201C, VAL212B, VAL212C, VAL224B, VAL224C
• B-D: ALA129B, ALA129D, ALA163B, ALA163D, ALA164B, ALA164D, ALA165B, ALA165D, ALA16B, ALA16D, ARG113B, ARG113D, ARG130B, ARG130D, ARG139B, ARG139D, ARG143B, ARG143D, ARG152B, ARG152D, ARG184B, ARG184D, ARG191B, ARG77B, ARG77D, ASN131B, ASN131D, ASN134B, ASN134D, ASN156B, ASN156D, ASP111B, ASP111D, GLN133B, GLN133D, GLN84B, GLN84D, GLU108B, GLU108D, GLU116B, GLU140B, GLU140D, GLU159B, GLU159D, GLU160B, GLU160D, GLU166B, GLU166D, GLU171B, GLU171D, GLY12B, GLY12D, GLY153B, GLY153D, GLY155B, GLY155D, HIS114B, HIS114D, ILE168B, ILE168D, ILE183B, ILE183D, LEU110B, LEU110D, LEU137B, LEU137D, LEU138B, LEU138D, LEU15B, LEU15D, LEU161B, LEU161D, LEU162B, LEU162D, LEU169B, LEU169D, LEU170B, LEU170D, LEU17D, LYS11B, LYS11D, LYS14B, LYS14D, LYS75B, LYS75D, MET132B, MET132D, PHE135B, PHE135D, PHE154B, PHE154D, PHE186B, PHE186D, PHE192B, PHE192D, PHE74B, PHE74D, PRO112B, PRO112D, PRO136B, PRO136D, PRO76B, PRO76D, PRO80B, PRO80D, SER79B, SER79D, SER82B, SER82D, THR157B, THR157D, THR185B, THR185D, THR78B, THR78D, TYR167B, TYR167D, TYR81B, TYR81D, VAL109B, VAL109D, VAL115B, VAL115D, VAL13B, VAL13D, VAL141D, VAL158B, VAL158D
• C-D: ARG184C, ARG184D, ARG191C, ARG191D, GLU187C, GLU187D, GLY155C, GLY155D, ILE183C, ILE183D, LYS11C, PHE154C, PHE154D, PHE186C, PHE186D, PHE192C, PHE192D, PRO188C, PRO188D, PRO6D, THR185C, THR185D, THR193C