3TQI

structure of the gmp synthase (guaa) from coxiella burnetii

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 134
  • Norm. En. per Res.: -4.0955
• 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-B	-78.2205	-30.0651	-440.506	-548.7915	134	24	11	17224	3	31	19
A-C	-63.5469	-30.4683	-256.16	-350.1753	117	12	2	10146	3	48	48
B-D	-62.8264	-30.9268	-260.292	-354.0452	114	16	2	9939	3	54	48
C-D	-71.2338	-22.1127	-436.924	-530.2704	131	27	11	17125	2	32	19

Interface residues

• A-B: ALA470A, ALA470B, ALA473A, ALA473B, ALA485A, ALA485B, ALA519A, ALA519B, ARG308A, ARG308B, ARG472A, ARG472B, ARG498A, ARG508A, ARG508B, ASN501A, ASN501B, ASN515A, ASN515B, ASP303A, ASP303B, ASP486A, ASP486B, ASP512A, ASP512B, GLN483A, GLN483B, GLU305A, GLU305B, GLU306B, GLU414A, GLU414B, GLU490A, GLU490B, GLU522A, GLU522B, GLY413A, GLY413B, HIS489A, HIS489B, HIS497A, HIS497B, ILE409A, ILE409B, ILE411A, ILE411B, ILE468A, ILE468B, ILE469A, ILE469B, ILE499A, ILE499B, ILE521A, ILE521B, LEU412A, LEU412B, LEU453A, LEU453B, LEU471A, LEU471B, LEU487A, LEU487B, LEU492A, LEU492B, LYS454A, LYS454B, LYS475A, LYS475B, LYS494A, LYS494B, LYS516A, LYS516B, MET451A, MET451B, MET513A, MET513B, PHE430A, PHE430B, PHE447A, PHE447B, PHE450A, PHE450B, PHE491A, PHE491B, PRO304A, PRO304B, PRO452A, PRO452B, PRO488A, PRO488B, PRO517A, PRO517B, PRO518A, PRO518B, SER302A, SER302B, SER455A, SER455B, SER493A, SER493B, SER496A, SER496B, SER507A, SER507B, THR514A, THR514B, THR520A, THR520B, TRP484A, TRP484B, TRP523A, TRP523B, TYR465A, TYR465B, TYR467A, TYR467B, TYR511A, TYR511B, VAL449A, VAL449B, VAL456A, VAL456B, VAL474A, VAL474B, VAL495A, VAL495B, VAL500A, VAL500B, VAL506A, VAL506B, VAL509A, VAL509B, VAL510A, VAL510B
• A-C: ALA195A, ALA195C, ALA394A, ALA394C, ARG192A, ARG192C, ARG384C, ASN275A, ASN275C, ASP123A, ASP123C, ASP127A, ASP127C, ASP138A, ASP138C, ASP271A, ASP271C, ASP395A, ASP395C, GLN112A, GLN128A, GLN128C, GLN132A, GLN132C, GLN189A, GLN189C, GLN278A, GLN278C, GLU126A, GLU126C, GLU134A, GLU134C, GLU272A, GLU272C, GLU389A, GLU389C, GLY124A, GLY124C, GLY133A, GLY133C, GLY387A, GLY387C, GLY391A, GLY391C, HIS191A, HIS191C, HIS196A, HIS196C, HIS200A, HIS200C, HIS280A, HIS280C, HIS441A, ILE125A, ILE125C, ILE199A, ILE199C, ILE30A, ILE30C, ILE397A, ILE397C, LEU136A, LEU136C, LEU137A, LEU137C, LEU274A, LEU274C, LEU281A, LEU281C, LEU386A, LEU386C, LEU388A, LEU388C, LEU390A, LEU390C, LEU392A, LEU392C, LEU396A, LEU396C, LYS211A, LYS211C, LYS249A, LYS249C, LYS279A, LYS279C, LYS385A, LYS385C, LYS435A, LYS435C, PHE122A, PHE122C, PHE277A, PHE277C, PRO118A, PRO118C, PRO131A, PRO131C, PRO135A, PRO135C, PRO188A, PRO188C, PRO206A, PRO206C, PRO393A, PRO393C, SER130A, SER130C, TYR398A, TYR398C, VAL115A, VAL115C, VAL129A, VAL129C, VAL273A, VAL273C, VAL276A, VAL276C
• B-D: ALA195B, ALA195D, ALA394B, ALA394D, ARG192B, ARG192D, ASN275B, ASN275D, ASP123B, ASP123D, ASP127B, ASP127D, ASP138B, ASP138D, ASP271B, ASP271D, ASP395B, ASP395D, GLN112D, GLN128B, GLN128D, GLN132B, GLN132D, GLN189B, GLN189D, GLN278B, GLN278D, GLU126B, GLU126D, GLU134B, GLU134D, GLU272B, GLU272D, GLU389B, GLU389D, GLY124B, GLY124D, GLY133B, GLY133D, GLY387B, GLY387D, GLY391B, GLY391D, HIS191B, HIS191D, HIS196B, HIS196D, HIS200B, HIS200D, HIS280B, HIS280D, HIS441D, ILE125B, ILE125D, ILE199B, ILE199D, ILE397B, ILE397D, LEU136B, LEU136D, LEU137B, LEU137D, LEU274B, LEU274D, LEU281B, LEU281D, LEU386B, LEU386D, LEU388B, LEU388D, LEU390B, LEU390D, LEU392B, LEU392D, LEU396B, LEU396D, LYS211B, LYS211D, LYS249B, LYS249D, LYS279B, LYS279D, LYS385B, LYS385D, LYS435B, LYS435D, PHE122B, PHE122D, PHE277B, PHE277D, PRO118B, PRO118D, PRO131B, PRO131D, PRO135B, PRO135D, PRO188B, PRO188D, PRO206B, PRO206D, PRO393B, PRO393D, SER130B, SER130D, TYR398B, TYR398D, VAL115B, VAL115D, VAL129B, VAL129D, VAL273B, VAL273D, VAL276B, VAL276D
• C-D: ALA470C, ALA470D, ALA485C, ALA485D, ALA519C, ALA519D, ARG308C, ARG308D, ARG472C, ARG472D, ARG498C, ARG498D, ARG508C, ARG508D, ASN501C, ASN501D, ASN515C, ASN515D, ASP303C, ASP303D, ASP486C, ASP486D, ASP512C, ASP512D, GLN483C, GLN483D, GLU305C, GLU305D, GLU414C, GLU414D, GLU490C, GLU490D, GLU522C, GLU522D, GLY413C, GLY413D, GLY466C, HIS489C, HIS489D, HIS497C, HIS497D, ILE409C, ILE409D, ILE411C, ILE411D, ILE468C, ILE468D, ILE469C, ILE469D, ILE499C, ILE499D, ILE521C, ILE521D, LEU412C, LEU412D, LEU453C, LEU453D, LEU471C, LEU471D, LEU487C, LEU487D, LEU492C, LEU492D, LYS454C, LYS454D, LYS475D, LYS494C, LYS494D, LYS516C, LYS516D, MET451C, MET451D, MET513C, MET513D, PHE430C, PHE430D, PHE447C, PHE447D, PHE450C, PHE450D, PHE491C, PHE491D, PRO304C, PRO304D, PRO452C, PRO452D, PRO488C, PRO488D, PRO517C, PRO517D, PRO518C, PRO518D, SER302D, SER455C, SER455D, SER493C, SER493D, SER496C, SER496D, SER507C, SER507D, THR514C, THR514D, THR520C, THR520D, TRP484C, TRP484D, TRP523C, TRP523D, TYR465C, TYR465D, TYR467C, TYR467D, TYR511C, TYR511D, VAL449C, VAL449D, VAL456C, VAL456D, VAL474C, VAL474D, VAL495C, VAL495D, VAL500C, VAL500D, VAL506C, VAL506D, VAL509C, VAL509D, VAL510C, VAL510D