2IHV

carboxyethylarginine synthase from streptomyces clavuligerus: 5-guanidinovaleric acid complex

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 328
  • Norm. En. per Res.: -4.4526
• 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	-179.0109	-164.5502	-1116.89	-1460.4512	328	43	35	43337	10	96	86
A-C	-59.7296	-157.1438	-239.348	-456.2214	132	7	10	9678	14	25	24
A-D	-8.3039	0.8456	-38.124	-45.5823	44	1	0	1786	0	20	22
B-C	0.0	3.6468	-39.6197	-35.9729	42	0	0	1773	0	20	22
B-D	-64.1763	-156.7073	-239.575	-460.4586	134	8	10	9783	15	26	24
C-D	-170.2347	-162.2921	-1084.75	-1417.2769	324	34	35	42002	12	97	85

Interface residues

• A-B: ALA127A, ALA127B, ALA130A, ALA130B, ALA15A, ALA15B, ALA299A, ALA299B, ALA38A, ALA38B, ALA39A, ALA39B, ALA433A, ALA433B, ALA477A, ALA477B, ALA511A, ALA511B, ALA521A, ALA521B, ALA523A, ALA523B, ALA525A, ALA525B, ALA93A, ALA93B, ARG303A, ARG303B, ARG327A, ARG327B, ARG36A, ARG36B, ARG414A, ARG414B, ARG478A, ARG478B, ARG506A, ARG506B, ARG55A, ARG55B, ARG99A, ARG99B, ASN117A, ASN117B, ASN469A, ASN469B, ASN489A, ASN489B, ASN493A, ASN493B, ASN501A, ASN501B, ASN526A, ASN526B, ASN87A, ASN87B, ASP113A, ASP113B, ASP118A, ASP118B, ASP124A, ASP124B, ASP171A, ASP171B, ASP297A, ASP297B, ASP301A, ASP301B, ASP44A, ASP44B, ASP463A, ASP463B, ASP472A, ASP472B, ASP491A, ASP491B, ASP509A, ASP509B, ASP50A, ASP50B, ASP518A, ASP518B, ASP98A, ASP98B, CYS122A, CYS122B, CYS435A, CYS435B, GLN121A, GLN121B, GLN500A, GLN500B, GLU110A, GLU110B, GLU300A, GLU300B, GLU37A, GLU37B, GLU45A, GLU45B, GLU474A, GLU474B, GLU497A, GLU497B, GLU524A, GLU524B, GLU57A, GLU57B, GLY174A, GLY174B, GLY32A, GLY32B, GLY35A, GLY35B, GLY434A, GLY434B, GLY439A, GLY439B, GLY462A, GLY462B, GLY464A, GLY464B, GLY465A, GLY465B, GLY503A, GLY503B, GLY515A, GLY515B, GLY516A, GLY516B, GLY527A, GLY527B, GLY82A, GLY82B, GLY84A, GLY84B, GLY91A, GLY91B, HIS112A, HIS112B, HIS120A, HIS120B, HIS415A, HIS415B, HIS467A, HIS467B, HIS504A, HIS504B, HIS505A, HIS505B, HIS508A, HIS508B, HIS56A, HIS56B, ILE114A, ILE114B, ILE128A, ILE128B, ILE325A, ILE325B, ILE410A, ILE410B, ILE41A, ILE41B, ILE496A, ILE496B, ILE49A, ILE49B, ILE502A, ILE502B, ILE573A, ILE573B, ILE92A, ILE92B, LEU123A, LEU123B, LEU173A, LEU173B, LEU302A, LEU302B, LEU42A, LEU42B, LEU473A, LEU473B, LEU479A, LEU479B, LEU495A, LEU495B, LEU498A, LEU498B, LEU522A, LEU522B, LEU53A, LEU53B, LEU571A, LEU571B, LEU81A, LEU81B, LEU88A, LEU88B, LEU97A, LEU97B, LYS134A, LYS134B, LYS513A, LYS513B, MET132A, MET132B, MET85A, MET85B, PHE115A, PHE115B, PHE438A, PHE438B, PHE43A, PHE43B, PHE466A, PHE466B, PHE514A, PHE514B, PHE519A, PHE519B, PHE51A, PHE51B, PHE58A, PHE58B, PRO116A, PRO116B, PRO131A, PRO131B, PRO160A, PRO160B, PRO163A, PRO163B, PRO324A, PRO324B, PRO326A, PRO326B, PRO510A, PRO510B, PRO83A, PRO83B, SER109A, SER109B, SER111A, SER111B, SER125A, SER125B, SER133A, SER133B, SER40A, SER40B, SER432A, SER432B, SER436A, SER436B, SER437A, SER437B, SER468A, SER468B, SER470A, SER470B, SER471A, SER471B, SER507A, SER507B, SER572A, SER572B, SER89A, SER89B, THR119A, THR119B, THR13A, THR13B, THR321A, THR321B, THR431A, THR431B, THR475A, THR475B, THR492A, THR492B, THR54A, THR54B, THR80A, THR80B, THR86A, THR86B, THR90A, THR90B, THR94A, THR94B, TYR251A, TYR251B, TYR271A, TYR271B, TYR298A, TYR298B, TYR329A, TYR329B, TYR440A, TYR440B, TYR499A, TYR499B, VAL126A, VAL126B, VAL129A, VAL129B, VAL170A, VAL170B, VAL322B, VAL328A, VAL328B, VAL33A, VAL33B, VAL34A, VAL34B, VAL487A, VAL512A, VAL512B, VAL517A, VAL517B, VAL520A, VAL520B, VAL52A, VAL52B, VAL96A, VAL96B
• A-C: ALA152A, ALA152C, ALA155A, ALA155C, ALA156A, ALA156C, ALA188A, ALA188C, ALA192A, ALA192C, ALA199A, ALA199C, ALA341A, ALA341C, ARG141A, ARG141C, ARG21A, ARG21C, ARG317A, ARG317C, ARG327A, ARG327C, ARG330A, ARG330C, ASN154A, ASN154C, ASN185A, ASN185C, ASN189A, ASN189C, ASN323A, ASN323C, ASP147A, ASP147C, ASP150A, ASP150C, ASP200A, ASP200C, ASP332A, ASP332C, ASP334A, ASP334C, ASP338A, ASP338C, GLN140A, GLN140C, GLN203A, GLN203C, GLN208A, GLN208C, GLU138A, GLU138C, GLU144A, GLU144C, GLU159A, GLU159C, GLY196A, GLY196C, GLY201A, GLY201C, HIS143A, HIS143C, HIS25A, HIS25C, ILE145A, ILE145C, ILE325A, ILE325C, LEU139A, LEU139C, LEU148A, LEU148C, LEU340A, LEU340C, LYS193A, LYS193C, MET157A, MET157C, PRO186A, PRO186C, PRO187A, PRO187C, PRO191A, PRO191C, PRO194A, PRO194C, PRO320A, PRO320C, PRO324A, PRO324C, PRO326A, PRO326C, PRO331A, PRO331C, SER151A, SER151C, SER230A, SER230C, THR146A, THR146C, THR158A, THR158C, THR321A, THR321C, THR337A, THR337C, TRP202A, TRP202C, TYR135A, TYR135C, TYR329A, TYR329C, VAL137A, VAL137C, VAL149A, VAL149C, VAL153A, VAL153C, VAL195A, VAL195C, VAL197A, VAL197C, VAL198A, VAL198C, VAL322A, VAL322C, VAL328A, VAL328C, VAL333A, VAL333C, VAL336A, VAL336C
• A-D: ARG141A, ARG141D, ASP113A, ASP113D, ASP147A, ASP147D, ASP171A, ASP171D, GLN140A, GLN140D, GLU110A, GLU110D, GLU138A, GLU138D, GLU144A, GLU144D, GLU177A, GLU177D, HIS112A, HIS112D, HIS143A, HIS143D, ILE114A, ILE114D, LEU139A, LEU139D, LEU148A, LEU148D, LEU172A, LEU172D, PHE115A, PHE115D, PRO116A, PRO116D, PRO169A, PRO169D, SER111A, SER111D, SER151A, SER151D, TYR135A, TYR135D, VAL137A, VAL137D
• B-C: ARG141B, ARG141C, ASP113B, ASP113C, ASP147B, ASP147C, ASP171B, ASP171C, GLN140B, GLN140C, GLU110B, GLU110C, GLU138B, GLU138C, GLU144B, GLU144C, GLU177B, GLU177C, HIS112B, HIS112C, HIS143B, HIS143C, ILE114B, ILE114C, LEU139B, LEU139C, LEU148B, LEU148C, LEU172B, LEU172C, PHE115B, PHE115C, PRO169B, PRO169C, SER111B, SER111C, SER151B, SER151C, TYR135B, TYR135C, VAL137B, VAL137C
• B-D: ALA152B, ALA152D, ALA155B, ALA155D, ALA156B, ALA156D, ALA188B, ALA188D, ALA192B, ALA192D, ALA199B, ALA199D, ALA205D, ALA341B, ALA341D, ARG141B, ARG141D, ARG21B, ARG21D, ARG317B, ARG317D, ARG327B, ARG327D, ARG330B, ARG330D, ASN154B, ASN154D, ASN185B, ASN185D, ASN189B, ASN189D, ASN323B, ASN323D, ASP147B, ASP147D, ASP150B, ASP150D, ASP200B, ASP200D, ASP332B, ASP332D, ASP334B, ASP334D, ASP338B, ASP338D, GLN140B, GLN140D, GLN203B, GLN203D, GLN208B, GLN208D, GLU138B, GLU138D, GLU144B, GLU144D, GLU159B, GLU159D, GLY196B, GLY196D, GLY201B, GLY201D, HIS143B, HIS143D, HIS25B, HIS25D, ILE145B, ILE145D, ILE325B, ILE325D, LEU139B, LEU139D, LEU148B, LEU148D, LEU340B, LEU340D, LYS193B, LYS193D, LYS204D, MET157B, MET157D, PRO186B, PRO186D, PRO187B, PRO187D, PRO191B, PRO191D, PRO194B, PRO194D, PRO320B, PRO320D, PRO324B, PRO324D, PRO326B, PRO326D, PRO331B, PRO331D, SER151B, SER151D, SER230B, SER230D, THR146B, THR146D, THR158B, THR158D, THR321B, THR321D, THR337B, THR337D, TRP202B, TRP202D, TYR135B, TYR135D, TYR329B, TYR329D, VAL137B, VAL137D, VAL149B, VAL149D, VAL153B, VAL153D, VAL195B, VAL195D, VAL197B, VAL197D, VAL198B, VAL198D, VAL322B, VAL322D, VAL328B, VAL328D, VAL333B, VAL333D, VAL336B, VAL336D
• C-D: ALA127C, ALA127D, ALA130C, ALA130D, ALA15C, ALA15D, ALA299C, ALA299D, ALA38C, ALA38D, ALA39C, ALA39D, ALA433C, ALA433D, ALA477C, ALA477D, ALA511C, ALA511D, ALA521C, ALA521D, ALA523C, ALA523D, ALA525C, ALA525D, ALA93C, ALA93D, ARG303C, ARG303D, ARG327C, ARG327D, ARG36C, ARG36D, ARG414C, ARG414D, ARG478C, ARG478D, ARG506C, ARG506D, ARG55C, ARG55D, ARG99C, ARG99D, ASN117C, ASN117D, ASN323D, ASN469C, ASN469D, ASN489C, ASN489D, ASN493C, ASN493D, ASN501C, ASN501D, ASN526C, ASN526D, ASN87C, ASN87D, ASP113C, ASP113D, ASP118C, ASP118D, ASP124C, ASP124D, ASP171C, ASP297C, ASP297D, ASP301C, ASP301D, ASP44C, ASP44D, ASP463C, ASP463D, ASP472C, ASP472D, ASP491C, ASP491D, ASP509C, ASP509D, ASP50C, ASP50D, ASP518C, ASP518D, ASP98C, ASP98D, CYS122C, CYS122D, CYS435C, CYS435D, GLN121C, GLN121D, GLN500C, GLN500D, GLU110C, GLU110D, GLU300C, GLU300D, GLU37C, GLU37D, GLU45C, GLU45D, GLU474C, GLU474D, GLU497C, GLU497D, GLU524C, GLU524D, GLU57C, GLU57D, GLY162C, GLY162D, GLY174C, GLY174D, GLY32C, GLY32D, GLY35C, GLY35D, GLY434C, GLY434D, GLY439C, GLY439D, GLY462C, GLY462D, GLY464C, GLY464D, GLY465C, GLY465D, GLY503C, GLY503D, GLY515C, GLY515D, GLY516C, GLY516D, GLY527C, GLY527D, GLY82C, GLY82D, GLY84C, GLY84D, GLY91C, GLY91D, HIS112C, HIS112D, HIS120C, HIS120D, HIS415D, HIS467C, HIS467D, HIS504C, HIS504D, HIS505C, HIS505D, HIS508C, HIS508D, HIS56C, HIS56D, ILE114C, ILE114D, ILE128C, ILE128D, ILE325C, ILE325D, ILE410C, ILE410D, ILE41C, ILE41D, ILE496C, ILE496D, ILE49C, ILE49D, ILE502C, ILE502D, ILE573D, ILE92C, ILE92D, LEU123C, LEU123D, LEU173C, LEU173D, LEU302C, LEU302D, LEU42C, LEU42D, LEU473C, LEU473D, LEU479C, LEU479D, LEU495C, LEU495D, LEU498C, LEU498D, LEU522C, LEU522D, LEU53C, LEU53D, LEU571D, LEU81C, LEU81D, LEU88C, LEU88D, LEU97C, LEU97D, LYS134C, LYS134D, LYS513C, LYS513D, MET132C, MET132D, MET85C, MET85D, PHE115C, PHE115D, PHE438C, PHE438D, PHE43C, PHE43D, PHE466C, PHE466D, PHE514C, PHE514D, PHE519C, PHE519D, PHE51C, PHE51D, PHE58C, PHE58D, PRO116C, PRO116D, PRO131C, PRO131D, PRO160C, PRO160D, PRO163C, PRO163D, PRO324C, PRO324D, PRO326C, PRO326D, PRO510C, PRO510D, PRO83C, PRO83D, SER109C, SER109D, SER111C, SER111D, SER125C, SER125D, SER133C, SER133D, SER40C, SER40D, SER432C, SER432D, SER436C, SER436D, SER437C, SER437D, SER468C, SER468D, SER470C, SER470D, SER471C, SER471D, SER507C, SER507D, SER572D, SER89C, SER89D, SER95D, THR119C, THR119D, THR13C, THR13D, THR321C, THR321D, THR431D, THR475C, THR475D, THR492C, THR492D, THR54C, THR54D, THR80C, THR80D, THR86C, THR86D, THR90C, THR90D, THR94C, THR94D, TYR251C, TYR251D, TYR271C, TYR271D, TYR298C, TYR298D, TYR329C, TYR329D, TYR499C, TYR499D, VAL126C, VAL126D, VAL129C, VAL129D, VAL170C, VAL328C, VAL328D, VAL33C, VAL33D, VAL34C, VAL34D, VAL487C, VAL487D, VAL512C, VAL512D, VAL517C, VAL517D, VAL520C, VAL520D, VAL528D, VAL52C, VAL52D, VAL96C, VAL96D