3GH1

crystal structure of predicted nucleotide-binding protein from vibrio cholerae

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 118
  • Norm. En. per Res.: -4.9335
• 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	-125.7143	-146.301	-310.14	-582.1554	118	19	13	12727	11	38	45
A-D	-52.871	-97.3977	-322.799	-473.0677	113	7	6	12298	12	46	56
B-C	-48.8242	-96.005	-322.659	-467.4882	109	8	6	12254	13	47	52
B-D	-147.6485	-146.9005	-304.062	-598.611	126	19	13	12759	12	34	45

Interface residues

• A-C: ALA10C, ALA196A, ALA196C, ALA197A, ALA197C, ALA201A, ALA201C, ALA322A, ALA322C, ALA325A, ALA325C, ARG167A, ARG167C, ARG176A, ARG176C, ARG204A, ARG204C, ARG326A, ARG326C, ASN225A, ASN225C, ASN229A, ASN229C, ASN330A, ASN330C, ASP88A, ASP88C, GLN164A, GLN164C, GLN203A, GLN203C, GLN90A, GLN90C, GLN96A, GLN96C, GLU168A, GLU172A, GLU172C, GLU177A, GLU177C, GLU190A, GLU190C, GLU207A, GLU207C, GLU230A, GLU230C, GLU323A, GLU323C, GLU97A, GLU97C, GLY11C, GLY174A, GLY174C, GLY191C, GLY195A, GLY195C, GLY199A, GLY199C, GLY89A, GLY89C, GLY94A, GLY94C, HIS171A, HIS171C, HIS200A, HIS200C, HIS98A, HIS98C, ILE227A, ILE227C, ILE327A, ILE327C, ILE91A, ILE91C, ILE92A, ILE92C, ILE95A, ILE95C, LEU173A, LEU173C, LEU175A, LEU175C, LEU178A, LEU178C, LEU231A, LEU231C, LEU99A, LEU99C, LYS194A, LYS194C, LYS202A, LYS202C, LYS93A, LYS93C, PHE86A, PHE86C, PRO224C, PRO226A, PRO226C, SER101C, SER206A, SER206C, SER329A, SER329C, SER46A, TYR163C, TYR205A, TYR205C, TYR208A, TYR208C, TYR210A, TYR210C, VAL198A, VAL198C, VAL228A, VAL228C, VAL87A, VAL87C
• A-D: ALA10A, ALA114A, ALA114D, ALA140A, ALA140D, ALA145A, ALA145D, ALA345A, ALA345D, ARG136A, ARG136D, ARG336A, ARG336D, ARG339A, ARG339D, ARG69A, ARG69D, ARG70A, ARG70D, ARG72A, ARG72D, ASN129A, ASN129D, ASN137A, ASN137D, ASN349A, ASN349D, ASP115A, ASP14A, ASP14D, ASP341A, ASP341D, ASP344A, ASP344D, GLN18A, GLN18D, GLN337A, GLN337D, GLU20A, GLU20D, GLU22A, GLU22D, GLU343A, GLU343D, GLU71A, GLU71D, GLY11A, GLY11D, GLY133A, GLY133D, GLY139A, GLY139D, GLY144A, GLY144D, GLY73A, GLY73D, HIS112A, HIS112D, HIS126A, HIS126D, ILE142A, ILE142D, ILE74A, ILE74D, LEU135A, LEU135D, LEU141A, LEU141D, LEU15A, LEU15D, LEU16A, LEU16D, LEU19A, LEU19D, LYS340A, LYS340D, LYS342A, LYS342D, LYS75A, LYS75D, PHE132A, PHE132D, PHE348A, PHE348D, PRO143A, PRO143D, PRO147A, PRO147D, PRO9A, PRO9D, SER12A, SER12D, SER17A, SER17D, SER347A, SER347D, SER351D, THR125A, THR125D, THR128A, THR128D, THR146A, THR146D, TRP350A, TRP350D, TYR108A, TYR108D, TYR346A, TYR346D, VAL107A, VAL107D, VAL21A, VAL21D
• B-C: ALA140B, ALA140C, ALA145B, ALA145C, ALA345B, ALA345C, ARG136B, ARG136C, ARG336B, ARG336C, ARG339B, ARG339C, ARG69B, ARG69C, ARG70B, ARG70C, ARG72B, ARG72C, ASN129B, ASN129C, ASN137B, ASN137C, ASN349B, ASN349C, ASP14B, ASP14C, ASP341B, ASP341C, ASP344B, ASP344C, GLN18B, GLN18C, GLN337B, GLU20B, GLU20C, GLU22B, GLU343B, GLU343C, GLU71B, GLU71C, GLY11B, GLY11C, GLY133B, GLY133C, GLY139B, GLY139C, GLY144B, GLY144C, GLY73B, GLY73C, HIS112B, HIS112C, HIS126B, HIS126C, ILE142B, ILE142C, ILE74B, ILE74C, LEU135B, LEU135C, LEU141B, LEU141C, LEU15B, LEU15C, LEU16B, LEU16C, LEU19B, LEU19C, LYS340B, LYS340C, LYS342B, LYS342C, LYS75B, LYS75C, PHE132B, PHE132C, PHE348B, PHE348C, PRO143B, PRO143C, PRO147B, PRO147C, PRO9B, PRO9C, SER12B, SER12C, SER17B, SER17C, SER347B, SER347C, SER351B, SER351C, THR122B, THR125B, THR125C, THR128B, THR128C, THR146B, THR146C, TRP350B, TRP350C, TYR108B, TYR108C, TYR346B, TYR346C, VAL107B, VAL107C, VAL21B, VAL21C
• B-D: ALA10B, ALA10D, ALA196B, ALA196D, ALA197B, ALA197D, ALA201B, ALA201D, ALA322B, ALA322D, ALA325B, ALA325D, ALA85B, ARG167B, ARG167D, ARG176B, ARG176D, ARG204B, ARG204D, ARG326B, ARG326D, ASN225B, ASN225D, ASN229B, ASN229D, ASN330B, ASN330D, ASP88B, ASP88D, GLN164B, GLN164D, GLN203B, GLN203D, GLN90B, GLN90D, GLN96B, GLN96D, GLU172B, GLU172D, GLU177B, GLU177D, GLU190B, GLU190D, GLU207B, GLU207D, GLU230B, GLU230D, GLU323B, GLU323D, GLU97B, GLU97D, GLY11B, GLY11D, GLY174B, GLY174D, GLY191B, GLY191D, GLY195B, GLY195D, GLY199B, GLY199D, GLY47D, GLY89B, GLY89D, GLY94B, GLY94D, HIS171B, HIS171D, HIS200B, HIS200D, HIS84B, HIS98B, HIS98D, ILE227B, ILE227D, ILE327B, ILE327D, ILE91B, ILE91D, ILE92B, ILE92D, ILE95B, ILE95D, LEU173B, LEU173D, LEU175B, LEU175D, LEU178B, LEU178D, LEU231B, LEU231D, LEU99B, LEU99D, LYS194B, LYS194D, LYS202B, LYS202D, LYS93B, LYS93D, PHE86B, PHE86D, PRO224B, PRO224D, PRO226B, PRO226D, SER101B, SER101D, SER206B, SER206D, SER329B, SER329D, SER46B, SER46D, TYR163D, TYR205B, TYR205D, TYR208B, TYR208D, TYR210B, TYR210D, VAL198B, VAL198D, VAL228B, VAL228D, VAL87B, VAL87D