3NUG

crystal structure of wild type tetrameric pyridoxal 4-dehydrogenase from mesorhizobium loti

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 142
  • Norm. En. per Res.: -4.869
• 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	0.0	0.0	-27.4334	-27.4334	34	2	0	1466	0	2	6
A-C	-76.5515	-73.3189	-542.635	-692.5054	158	25	7	18643	12	32	38
A-D	-48.4944	-132.1723	-510.727	-691.3938	142	8	21	18978	10	24	31
B-C	-56.7027	-127.8827	-509.889	-694.4744	146	11	21	19155	10	27	33
B-D	-74.1113	-67.7004	-552.439	-694.2507	163	31	10	19292	12	32	36
C-D	0.0	0.0	-25.8805	-25.8805	34	1	0	1391	0	2	6

Interface residues

• A-B: ALA146A, ALA146B, ALA209A, ALA209B, ARG247A, ARG247B, GLY147A, GLY147B, GLY244A, GLY244B, HIS248A, HIS248B, LEU207A, LEU207B, MET206A, MET206B, MET245A, MET245B, PHE144A, PHE144B, PHE145A, PHE145B, PHE203A, PHE203B, PRO149A, PRO149B, THR143A, THR143B, THR148A, THR148B, VAL155A, VAL155B, VAL246A, VAL246B
• A-C: ALA133A, ALA133C, ALA167A, ALA167C, ALA169A, ALA169C, ALA179A, ALA179C, ALA181A, ALA181C, ALA209A, ALA209C, ALA220A, ALA220C, ALA231A, ALA231C, ALA243A, ALA243C, ARG135A, ARG135C, ARG166A, ARG166C, ARG232A, ARG232C, ARG247A, ARG247C, ARG26A, ARG26C, ARG4A, ARG4C, ASN142A, ASN142C, ASN176A, ASN176C, ASN180A, ASN180C, ASN240A, ASN240C, ASP221A, ASP221C, ASP229A, ASP229C, ASP230A, ASP230C, ASP242A, ASP242C, ASP30A, ASP30C, GLN208A, GLN208C, GLN215A, GLN215C, GLN237A, GLN237C, GLU171A, GLU171C, GLU188A, GLU188C, GLU205A, GLU205C, GLU217A, GLU217C, GLU3C, GLY134A, GLY134C, GLY163C, GLY173A, GLY173C, GLY185A, GLY185C, GLY212A, GLY212C, GLY214A, GLY214C, GLY236A, GLY236C, GLY244A, GLY244C, HIS218A, HIS218C, HIS248A, HIS248C, ILE162A, ILE162C, ILE177A, ILE177C, ILE187A, ILE187C, ILE219A, ILE219C, ILE234A, ILE234C, LEU168A, LEU168C, LEU172A, LEU172C, LEU186A, LEU186C, LEU207A, LEU207C, LEU226A, LEU226C, LEU239A, LEU239C, LYS174A, LYS174C, LYS211A, LYS211C, LYS213A, LYS213C, MET210A, MET210C, MET245A, MET245C, PHE145A, PHE145C, PHE164C, PHE201A, PHE201C, PHE225A, PHE225C, PRO184A, PRO184C, PRO216A, PRO216C, SER224A, SER224C, SER228A, SER228C, THR165A, THR165C, THR170A, THR170C, THR178A, THR178C, THR183A, THR183C, THR235A, THR235C, THR238A, THR238C, THR2A, TRP233A, TRP233C, TYR175A, TYR175C, VAL182A, VAL182C, VAL204A, VAL204C, VAL222A, VAL222C, VAL223A, VAL223C, VAL241A, VAL241C, VAL246A, VAL246C
• A-D: ALA122A, ALA122D, ALA146A, ALA146D, ALA152A, ALA152D, ALA153A, ALA153D, ALA156A, ALA156D, ALA157A, ALA157D, ALA167A, ALA167D, ALA169A, ALA169D, ALA96A, ALA96D, ARG106A, ARG106D, ARG121A, ARG121D, ARG128A, ARG128D, ARG166A, ARG166D, ASN112A, ASN112D, ASN142A, ASN142D, ASN150A, ASN150D, ASP101A, ASP101D, ASP103A, ASP103D, ASP110A, ASP110D, ASP125A, ASP125D, ASP64A, ASP64D, ASP98A, ASP98D, ASP99A, ASP99D, GLU171A, GLU171D, GLY115A, GLY115D, GLY123A, GLY123D, GLY147A, GLY147D, GLY159A, GLY159D, GLY160A, GLY160D, GLY163A, GLY163D, GLY236A, GLY236D, GLY66A, GLY66D, HIS104A, HIS104D, HIS248A, HIS248D, ILE109A, ILE109D, ILE118A, ILE118D, ILE162A, ILE162D, ILE62A, ILE62D, LEU102A, LEU102D, LEU113A, LEU113D, LEU168A, LEU168D, LEU172A, LEU172D, LYS158A, LYS158D, LYS174A, LYS174D, MET151A, MET151D, PHE117A, PHE117D, PHE144A, PHE144D, PHE145A, PHE145D, PHE164A, PHE164D, PRO149A, PRO149D, PRO65A, PRO65D, SER63A, SER63D, THR114A, THR114D, THR116A, THR116D, THR120A, THR120D, THR124A, THR124D, THR143A, THR143D, THR148A, THR148D, THR165A, THR165D, THR170A, THR170D, THR238A, THR238D, TRP105A, TRP105D, TRP97A, TRP97D, TYR154A, TYR154D, TYR175A, TYR175D, VAL100A, VAL100D, VAL136A, VAL136D, VAL155A, VAL155D, VAL161A, VAL161D, VAL246A, VAL246D, VAL95A, VAL95D
• B-C: ALA122B, ALA122C, ALA146B, ALA146C, ALA152B, ALA152C, ALA153B, ALA153C, ALA156B, ALA156C, ALA157B, ALA157C, ALA167B, ALA167C, ALA169B, ALA169C, ALA96B, ALA96C, ARG106B, ARG106C, ARG121B, ARG121C, ARG128B, ARG128C, ARG166B, ARG166C, ASN112B, ASN112C, ASN142B, ASN142C, ASN150B, ASN150C, ASP101B, ASP101C, ASP103B, ASP103C, ASP110B, ASP110C, ASP125B, ASP125C, ASP64B, ASP64C, ASP98B, ASP98C, ASP99B, ASP99C, GLU171B, GLU171C, GLY115B, GLY115C, GLY123B, GLY123C, GLY147B, GLY147C, GLY159B, GLY159C, GLY160B, GLY160C, GLY163B, GLY163C, GLY236B, GLY236C, GLY66B, GLY66C, HIS104B, HIS104C, HIS248B, HIS248C, ILE109B, ILE109C, ILE118B, ILE118C, ILE162B, ILE162C, ILE177C, ILE62B, ILE62C, LEU102B, LEU102C, LEU113B, LEU113C, LEU168B, LEU168C, LEU172B, LEU172C, LYS158B, LYS158C, LYS174B, LYS174C, LYS69C, MET151B, MET151C, PHE117B, PHE117C, PHE144B, PHE144C, PHE145B, PHE145C, PHE164B, PHE164C, PRO149B, PRO149C, PRO65B, PRO65C, SER63B, SER63C, THR114B, THR114C, THR116B, THR116C, THR120B, THR120C, THR124B, THR124C, THR143B, THR143C, THR148B, THR148C, THR165B, THR165C, THR170B, THR170C, THR238B, THR238C, TRP105B, TRP105C, TRP97B, TRP97C, TYR154B, TYR154C, TYR175B, TYR175C, VAL100B, VAL100C, VAL119B, VAL136B, VAL136C, VAL155B, VAL155C, VAL161B, VAL161C, VAL246B, VAL246C, VAL68B, VAL95B, VAL95C
• B-D: ALA133B, ALA133D, ALA167B, ALA167D, ALA169B, ALA169D, ALA179B, ALA179D, ALA181B, ALA181D, ALA209B, ALA209D, ALA220B, ALA220D, ALA231B, ALA231D, ALA243B, ALA243D, ARG135B, ARG135D, ARG166B, ARG166D, ARG232B, ARG232D, ARG247B, ARG247D, ARG26B, ARG26D, ARG4B, ARG4D, ASN142B, ASN142D, ASN176B, ASN176D, ASN180B, ASN180D, ASN240B, ASN240D, ASP221B, ASP221D, ASP229B, ASP229D, ASP230B, ASP230D, ASP242B, ASP242D, ASP30B, ASP30D, GLN208B, GLN208D, GLN215B, GLN215D, GLN237B, GLN237D, GLU171B, GLU171D, GLU188B, GLU188D, GLU205B, GLU205D, GLU217B, GLU217D, GLU3B, GLU3D, GLY134B, GLY134D, GLY163B, GLY163D, GLY173B, GLY173D, GLY185B, GLY185D, GLY212B, GLY212D, GLY214B, GLY214D, GLY236B, GLY236D, GLY244B, GLY244D, HIS218B, HIS218D, HIS248B, HIS248D, ILE162B, ILE162D, ILE177B, ILE177D, ILE187B, ILE187D, ILE219B, ILE219D, ILE234B, ILE234D, LEU168B, LEU168D, LEU172B, LEU172D, LEU186B, LEU186D, LEU207B, LEU207D, LEU226B, LEU226D, LEU239B, LEU239D, LYS174B, LYS174D, LYS211B, LYS211D, LYS213B, LYS213D, MET210B, MET210D, MET245B, MET245D, PHE144B, PHE145B, PHE145D, PHE164B, PHE164D, PHE201B, PHE201D, PHE225B, PHE225D, PRO184B, PRO184D, PRO216B, PRO216D, SER224B, SER224D, SER228B, SER228D, THR165B, THR165D, THR170B, THR170D, THR178B, THR178D, THR183B, THR183D, THR235B, THR235D, THR238B, THR238D, THR2B, THR2D, TRP233B, TRP233D, TYR175B, TYR175D, VAL182B, VAL182D, VAL204B, VAL204D, VAL222B, VAL222D, VAL223B, VAL223D, VAL241B, VAL241D, VAL246B, VAL246D
• C-D: ALA146C, ALA146D, ALA209C, ALA209D, ARG247C, ARG247D, GLY147C, GLY147D, GLY244C, GLY244D, HIS248C, HIS248D, LEU207C, LEU207D, MET206C, MET206D, MET245C, MET245D, PHE144C, PHE144D, PHE145C, PHE145D, PHE203C, PHE203D, PRO149C, PRO149D, THR143C, THR143D, THR148C, THR148D, VAL155C, VAL155D, VAL246C, VAL246D