3SG1

2.6 angstrom crystal structure of udp-n-acetylglucosamine 1- carboxyvinyltransferase 1 (mura1) from bacillus anthracis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 55
  • Norm. En. per Res.: -3.4574
• 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	-43.8468	-40.1838	-264.613	-348.6436	139	21	0	12021	2	59	57
A-C	-10.0093	-60.513	-73.2673	-143.7896	53	6	1	3577	4	10	16
A-D	-42.0805	-29.1303	-180.686	-251.8968	104	15	2	9046	10	54	51
B-C	-55.4423	-34.2543	-181.92	-271.6166	107	8	2	9139	14	54	53
B-D	-15.0134	-88.95	-86.1958	-190.1593	55	8	1	4009	8	12	16
C-D	-46.3101	-55.987	-287.387	-389.6842	143	22	0	11982	2	57	54

Interface residues

• A-B: ALA112A, ALA112B, ALA118A, ALA118B, ALA344A, ALA344B, ALA364A, ALA364B, ALA368B, ARG110A, ARG122A, ARG122B, ARG332A, ARG332B, ARG340A, ARG340B, ARG341A, ARG341B, ARG351A, ARG351B, ARG389A, ARG389B, ARG90A, ARG90B, ARG93A, ARG93B, ASN142A, ASN142B, ASN331A, ASN331B, ASN343A, ASN343B, ASP125A, ASP125B, ASP345A, ASP345B, CYS117A, CYS117B, GLN139A, GLN139B, GLN362A, GLN362B, GLU330A, GLU330B, GLU337A, GLU337B, GLU338A, GLU338B, GLU349A, GLU349B, GLU365A, GLU365B, GLU385A, GLU385B, GLU392A, GLU392B, GLU87A, GLU87B, GLY115A, GLY115B, GLY116A, GLY116B, GLY120A, GLY120B, GLY141A, GLY141B, GLY143A, GLY143B, GLY350A, GLY350B, GLY363A, GLY363B, GLY367A, GLY367B, GLY386A, GLY386B, HIS335A, HIS335B, ILE111A, ILE111B, ILE119A, ILE119B, ILE124A, ILE124B, ILE346A, ILE346B, ILE348A, ILE348B, LEU113A, LEU113B, LEU361A, LEU361B, LYS347A, LYS347B, LYS3A, MET1A, MET1B, MET334A, MET334B, MET342A, MET342B, PHE144A, PHE144B, PHE333A, PHE333B, PHE339A, PHE339B, PHE86A, PHE86B, PRO114A, PRO114B, PRO123A, PRO123B, PRO85A, PRO85B, SER121A, SER121B, SER360A, SER360B, THR369A, THR369B, THR388A, THR388B, THR391A, THR391B, TYR387A, TYR387B, VAL138A, VAL138B, VAL140A, VAL140B, VAL145A, VAL145B, VAL336A, VAL336B, VAL366A, VAL366B, VAL89A, VAL89B
• A-C: ALA292A, ALA292C, ARG351A, ARG351C, ASN356A, ASN356C, ASP294A, ASP294C, ASP319A, ASP345A, ASP345C, GLU326A, GLU326C, GLU349A, GLU349C, GLY320A, GLY320C, GLY350A, GLY350C, GLY357A, GLY357C, ILE295A, ILE324A, ILE324C, ILE346A, ILE346C, ILE348A, ILE348C, ILE354A, ILE354C, LYS291C, LYS296A, LYS296C, LYS347A, LYS347C, MET323A, MET323C, MET355A, MET355C, SER322A, SER322C, SER352A, SER352C, THR321A, THR321C, THR325A, THR325C, THR327A, THR327C, VAL293A, VAL293C, VAL353A, VAL353C
• A-D: ALA133A, ALA133D, ALA187A, ALA187D, ALA266A, ALA266D, ARG216A, ARG216D, ARG262A, ARG262D, ARG351A, ARG351D, ASN186A, ASN186D, ASP125A, ASP125D, ASP161A, ASP161D, ASP294A, ASP294D, GLN126A, GLN126D, GLU185A, GLU185D, GLU259A, GLU259D, GLU269A, GLU269D, GLU270A, GLU270D, GLU277A, GLU277D, GLU326A, GLU326D, GLU330A, GLU330D, GLY211A, GLY211D, GLY213A, GLY213D, GLY302A, GLY302D, HIS300A, HIS300D, ILE158A, ILE158D, ILE183A, ILE183D, ILE264A, ILE264D, ILE275A, ILE275D, ILE276A, ILE295A, ILE295D, LEU160A, LEU160D, LEU261A, LYS129A, LYS129D, LYS157A, LYS157D, LYS189A, LYS189D, LYS267A, LYS267D, LYS296A, LYS296D, MET298A, MET298D, PHE162A, PHE162D, PHE303A, PHE303D, PRO163A, PRO163D, PRO258A, PRO258D, PRO299A, PRO299D, PRO301A, PRO301D, PRO304A, PRO304D, SER164D, SER263A, SER263D, THR212A, THR212D, THR214A, THR214D, THR265A, THR265D, THR297A, THR297D, THR325D, THR327A, THR327D, TYR159A, TYR159D, VAL293A, VAL293D, VAL328A, VAL328D
• B-C: ALA133B, ALA133C, ALA187B, ALA187C, ALA266B, ALA266C, ARG216B, ARG262B, ARG262C, ARG351B, ARG351C, ASN186B, ASN186C, ASP125B, ASP125C, ASP161B, ASP161C, ASP294B, ASP294C, GLN126B, GLN126C, GLU185B, GLU185C, GLU259B, GLU259C, GLU269B, GLU269C, GLU270B, GLU270C, GLU277B, GLU277C, GLU326B, GLU326C, GLU330B, GLU330C, GLY211B, GLY211C, GLY213B, GLY213C, GLY302B, GLY302C, HIS300B, HIS300C, ILE158B, ILE158C, ILE183B, ILE183C, ILE264B, ILE264C, ILE275B, ILE275C, ILE276B, ILE276C, ILE295B, ILE295C, LEU160B, LEU160C, LEU261B, LEU261C, LYS129B, LYS129C, LYS157B, LYS157C, LYS189B, LYS189C, LYS267B, LYS267C, LYS296B, LYS296C, MET298B, MET298C, PHE162B, PHE162C, PHE303B, PHE303C, PRO163B, PRO163C, PRO258B, PRO258C, PRO299B, PRO299C, PRO301B, PRO301C, PRO304B, PRO304C, SER164B, SER164C, SER263B, SER263C, THR212B, THR212C, THR214B, THR214C, THR265B, THR265C, THR297B, THR297C, THR325B, THR325C, THR327B, THR327C, TYR159B, TYR159C, VAL293B, VAL293C, VAL328B, VAL328C
• B-D: ALA292B, ALA292D, ARG340D, ARG351B, ARG351D, ASN356B, ASN356D, ASP294B, ASP294D, ASP319D, ASP345B, ASP345D, GLU326B, GLU326D, GLU349B, GLU349D, GLY320B, GLY320D, GLY350B, GLY350D, GLY357B, GLY357D, ILE295B, ILE295D, ILE324B, ILE324D, ILE346B, ILE346D, ILE348B, ILE348D, ILE354B, ILE354D, LYS291B, LYS296B, LYS296D, LYS347B, LYS347D, MET323B, MET323D, MET355B, MET355D, SER322B, SER322D, SER352B, SER352D, THR321B, THR321D, THR325B, THR325D, THR327B, THR327D, VAL293B, VAL293D, VAL353B, VAL353D
• C-D: ALA112C, ALA112D, ALA118C, ALA118D, ALA344C, ALA344D, ALA364C, ALA364D, ALA368C, ARG122C, ARG122D, ARG332C, ARG332D, ARG340C, ARG340D, ARG341C, ARG341D, ARG351C, ARG351D, ARG389C, ARG389D, ARG90C, ARG90D, ARG93C, ARG93D, ASN142C, ASN142D, ASN331C, ASN331D, ASN343C, ASN343D, ASP125C, ASP125D, ASP345C, CYS117C, CYS117D, GLN139C, GLN139D, GLN362C, GLN362D, GLU330C, GLU330D, GLU337C, GLU337D, GLU338C, GLU338D, GLU349C, GLU349D, GLU365C, GLU365D, GLU385C, GLU385D, GLU392C, GLU392D, GLU87C, GLU87D, GLY115C, GLY115D, GLY116C, GLY116D, GLY120C, GLY120D, GLY141C, GLY141D, GLY143C, GLY143D, GLY350C, GLY350D, GLY363C, GLY363D, GLY367C, GLY367D, GLY386C, GLY386D, HIS335C, HIS335D, HIS395D, ILE111C, ILE111D, ILE119C, ILE119D, ILE124C, ILE124D, ILE346C, ILE346D, ILE348C, ILE348D, LEU113C, LEU113D, LEU361C, LEU361D, LYS347C, LYS347D, LYS3C, LYS3D, MET1C, MET1D, MET334C, MET334D, MET342C, MET342D, PHE144C, PHE144D, PHE329C, PHE333C, PHE333D, PHE339C, PHE339D, PHE86C, PHE86D, PRO114C, PRO114D, PRO123C, PRO123D, PRO85C, PRO85D, SER121C, SER121D, SER352C, SER352D, SER360C, SER360D, THR369C, THR369D, THR388C, THR388D, THR391C, THR391D, TYR387C, TYR387D, VAL138C, VAL140C, VAL140D, VAL145C, VAL145D, VAL336C, VAL336D, VAL353D, VAL366C, VAL366D, VAL390C, VAL89C, VAL89D