2PMB

crystal structure of predicted nucleotide-binding protein from vibrio cholerae

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 123
  • Norm. En. per Res.: -4.6751
• 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	-128.1538	-118.5603	-312.68	-559.3941	123	19	13	12811	9	39	46
A-D	-49.5222	-96.5503	-326.045	-472.1175	109	9	6	12356	11	43	53
B-C	-51.6323	-99.3061	-319.823	-470.7614	105	6	6	12286	9	44	52
B-D	-134.5378	-137.5084	-302.991	-575.0371	123	18	12	12740	10	38	46

Interface residues

• A-C: ALA199A, ALA199C, ALA200A, ALA200C, ALA204A, ALA204C, ALA325A, ALA325C, ALA328A, ALA328C, ARG170A, ARG170C, ARG179A, ARG179C, ARG207A, ARG207C, ARG329A, ARG329C, ASN228A, ASN228C, ASN232A, ASN232C, ASN333A, ASN333C, ASP91A, ASP91C, GLN167A, GLN167C, GLN206A, GLN206C, GLN93A, GLN93C, GLN99A, GLN99C, GLU100A, GLU100C, GLU163A, GLU171C, GLU175A, GLU175C, GLU180A, GLU180C, GLU193A, GLU193C, GLU210A, GLU210C, GLU233A, GLU233C, GLU326C, GLY177A, GLY177C, GLY194A, GLY194C, GLY198A, GLY198C, GLY202A, GLY202C, GLY50C, GLY92A, GLY92C, GLY97A, GLY97C, HIS101A, HIS101C, HIS174A, HIS174C, HIS203A, HIS203C, ILE230A, ILE230C, ILE330A, ILE330C, ILE94A, ILE94C, ILE95A, ILE95C, ILE98A, ILE98C, LEU102A, LEU102C, LEU176A, LEU176C, LEU178A, LEU178C, LEU181A, LEU181C, LEU234A, LEU234C, LYS197A, LYS197C, LYS205A, LYS205C, LYS96A, LYS96C, PHE89A, PHE89C, PRO227A, PRO227C, PRO229A, PRO229C, SER104A, SER104C, SER15A, SER209A, SER209C, SER332A, SER332C, SER49A, SER49C, TYR166A, TYR166C, TYR208A, TYR208C, TYR211A, TYR211C, TYR213A, TYR213C, VAL201A, VAL201C, VAL231A, VAL231C, VAL90A, VAL90C
• A-D: ALA143A, ALA143D, ALA148A, ALA148D, ALA348A, ALA348D, ARG107A, ARG107D, ARG139A, ARG139D, ARG339A, ARG339D, ARG342A, ARG342D, ARG72A, ARG72D, ARG73A, ARG73D, ARG75A, ARG75D, ASN132A, ASN132D, ASN140A, ASN140D, ASN352A, ASN352D, ASP17A, ASP17D, ASP344A, ASP344D, ASP347A, ASP347D, GLN21A, GLN21D, GLN340D, GLU23A, GLU23D, GLU25A, GLU25D, GLU346A, GLU346D, GLU74A, GLU74D, GLY136A, GLY136D, GLY142A, GLY142D, GLY147A, GLY147D, GLY76A, GLY76D, HIS115A, HIS115D, HIS129A, HIS129D, ILE145A, ILE145D, ILE77A, ILE77D, LEU138A, LEU138D, LEU144A, LEU144D, LEU18A, LEU18D, LEU19A, LEU19D, LEU22A, LEU22D, LYS343A, LYS343D, LYS345A, LYS345D, LYS78A, LYS78D, PHE135A, PHE135D, PHE351A, PHE351D, PRO12A, PRO12D, PRO146A, PRO146D, PRO150A, PRO150D, SER15A, SER15D, SER20A, SER20D, SER350A, SER350D, SER354A, SER354D, THR128A, THR128D, THR131A, THR131D, THR149A, THR149D, TRP353A, TRP353D, TYR111A, TYR111D, TYR349A, TYR349D, VAL110A, VAL110D, VAL24A, VAL24D
• B-C: ALA143B, ALA143C, ALA148B, ALA148C, ALA348B, ALA348C, ARG139B, ARG139C, ARG339B, ARG339C, ARG342B, ARG342C, ARG72B, ARG72C, ARG73B, ARG73C, ARG75B, ARG75C, ASN132B, ASN132C, ASN140B, ASN140C, ASN352C, ASP17B, ASP17C, ASP344B, ASP344C, ASP347B, ASP347C, GLN21B, GLN21C, GLN340C, GLU23B, GLU23C, GLU346B, GLU346C, GLU74B, GLU74C, GLY136B, GLY136C, GLY142B, GLY142C, GLY147B, GLY147C, GLY76B, GLY76C, HIS115B, HIS115C, HIS129B, HIS129C, ILE145B, ILE145C, ILE77B, ILE77C, LEU133B, LEU138B, LEU138C, LEU144B, LEU144C, LEU18B, LEU18C, LEU19B, LEU19C, LEU22B, LEU22C, LYS343B, LYS343C, LYS345B, LYS345C, LYS78B, LYS78C, PHE135B, PHE135C, PHE351B, PHE351C, PRO12B, PRO12C, PRO146B, PRO146C, PRO150B, PRO150C, SER15B, SER15C, SER20B, SER20C, SER350B, SER350C, SER354C, THR128B, THR128C, THR131B, THR131C, THR149B, THR149C, TRP353B, TRP353C, TYR111B, TYR111C, TYR349B, TYR349C, VAL110B, VAL110C, VAL24B, VAL24C, VAL338C
• B-D: ALA199B, ALA199D, ALA200B, ALA200D, ALA204B, ALA204D, ALA325B, ALA325D, ALA328B, ALA328D, ALA88B, ARG170B, ARG170D, ARG179B, ARG179D, ARG207B, ARG207D, ARG329B, ARG329D, ASN228B, ASN228D, ASN232B, ASN232D, ASN333B, ASN333D, ASP91B, ASP91D, GLN167B, GLN167D, GLN206B, GLN206D, GLN93B, GLN93D, GLN99B, GLN99D, GLU100B, GLU100D, GLU163B, GLU163D, GLU171D, GLU175B, GLU175D, GLU180B, GLU180D, GLU193B, GLU193D, GLU210B, GLU210D, GLU233B, GLU233D, GLU326B, GLU326D, GLY177B, GLY177D, GLY194B, GLY194D, GLY198B, GLY198D, GLY202B, GLY202D, GLY92B, GLY92D, GLY97B, GLY97D, HIS101B, HIS101D, HIS174B, HIS174D, HIS203B, HIS203D, ILE230B, ILE230D, ILE330B, ILE330D, ILE94B, ILE94D, ILE95B, ILE95D, ILE98B, ILE98D, LEU102B, LEU176B, LEU176D, LEU178B, LEU178D, LEU181B, LEU234B, LEU234D, LYS197B, LYS197D, LYS205B, LYS205D, LYS96B, LYS96D, PHE89B, PHE89D, PRO227B, PRO227D, PRO229B, PRO229D, SER104B, SER104D, SER15B, SER209B, SER209D, SER332B, SER332D, SER49B, SER49D, TYR166B, TYR166D, TYR208B, TYR208D, TYR211B, TYR211D, TYR213B, TYR213D, VAL201B, VAL201D, VAL231B, VAL231D, VAL90B, VAL90D