3AY3

crystal structure of glucuronic acid dehydrogeanse from chromohalobacter salexigens

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 143
  • Norm. En. per Res.: -4.3214
• 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	-85.4075	-60.9355	-447.562	-593.9049	144	16	6	17046	13	52	53
A-C	0.0	8.2703	-43.6423	-35.372	53	2	2	2082	1	19	35
A-D	0.0	0.0	-0.0083	-0.0083	7	0	0	8	0	0	3
B-C	0.0	0.0	-0.0334	-0.0334	8	0	0	22	0	0	3
C-D	-86.3082	-72.2591	-459.398	-617.9652	143	22	6	17177	14	52	50

Interface residues

• A-B: ALA146A, ALA146B, ALA259A, ALA259B, ALA260A, ALA260B, ALA266A, ALA266B, ALA54A, ALA54B, ALA90A, ALA90B, ARG129A, ARG129B, ARG130A, ARG130B, ARG161A, ARG161B, ARG98A, ARG98B, ASN80A, ASN80B, ASN86A, ASN92A, ASN92B, ASN99A, ASN99B, ASP124A, ASP124B, ASP132A, ASP132B, ASP144A, ASP144B, ASP264A, ASP264B, ASP265A, ASP265B, CYS140A, CYS140B, CYS199A, CYS199B, GLN84A, GLN84B, GLU126A, GLU126B, GLU143A, GLU143B, GLU76A, GLU76B, GLU95A, GLU95B, GLY136A, GLY136B, GLY142A, GLY142B, GLY254A, GLY254B, GLY255A, GLY255B, GLY261A, GLY261B, GLY89A, GLY89B, HIS112A, HIS112B, HIS151A, HIS151B, HIS262A, HIS262B, ILE114B, ILE82A, ILE82B, ILE87A, ILE87B, ILE88A, ILE88B, LEU134A, LEU134B, LEU137A, LEU137B, LEU145A, LEU145B, LEU148A, LEU148B, LEU83A, LEU83B, LYS139A, LYS139B, LYS152A, LYS152B, LYS217A, LYS217B, LYS256A, LYS256B, PHE141A, PHE141B, PHE153A, PHE153B, PHE257A, PHE257B, PRO118A, PRO118B, PRO128A, PRO128B, PRO131A, PRO131B, PRO263A, PRO263B, PRO78A, PRO78B, SER133A, SER133B, SER138A, SER138B, SER147A, SER147B, THR113A, THR113B, THR125A, THR125B, TRP79A, TRP79B, TYR116A, TYR116B, TYR117A, TYR117B, TYR135A, TYR135B, TYR149A, TYR149B, TYR150A, TYR150B, TYR252A, TYR252B, TYR91A, TYR91B, TYR94A, TYR94B, VAL127A, VAL127B, VAL201A, VAL201B, VAL258A, VAL258B
• A-C: ALA259A, ALA259C, ALA260A, ALA260C, ALA266A, ALA266C, ARG77A, ARG77C, ASN80A, ASN80C, ASP264A, ASP264C, ASP265A, ASP265C, ASP36A, ASP36C, ASP81A, ASP81C, GLN84A, GLN84C, GLU76A, GLU76C, GLY13A, GLY13C, GLY261A, GLY261C, HIS262A, ILE34A, ILE34C, LEU83A, LYS170A, LYS170C, LYS256A, LYS256C, MET174A, MET174C, PHE166A, PHE166C, PHE257A, PHE257C, PRO167A, PRO263A, PRO263C, PRO78A, PRO78C, SER74A, SER74C, VAL35A, VAL35C, VAL73A, VAL73C, VAL75A, VAL75C
• A-D: ARG98D, ASN99D, ASP53D, GLN55D, GLY38A, LYS170A, PRO167A
• B-C: ARG19C, ARG98B, ASN99B, GLN55B, GLY38C, LYS170C, PRO167C, PRO20C
• C-D: ALA146C, ALA146D, ALA259C, ALA259D, ALA260C, ALA260D, ALA266C, ALA52C, ALA54C, ALA54D, ALA90C, ALA90D, ARG129C, ARG129D, ARG130C, ARG130D, ARG161C, ARG161D, ARG98C, ARG98D, ASN80C, ASN80D, ASN92C, ASN92D, ASN99C, ASN99D, ASP124C, ASP124D, ASP132C, ASP132D, ASP144C, ASP144D, ASP154D, ASP264C, ASP264D, ASP265C, ASP265D, CYS140C, CYS140D, CYS199C, CYS199D, GLN84C, GLN84D, GLU126C, GLU126D, GLU143C, GLU143D, GLU76C, GLU76D, GLU95C, GLU95D, GLY115C, GLY136C, GLY136D, GLY142C, GLY142D, GLY254C, GLY255C, GLY255D, GLY261C, GLY261D, GLY89C, GLY89D, HIS112C, HIS112D, HIS151C, HIS151D, HIS262C, HIS262D, ILE114C, ILE82C, ILE82D, ILE87C, ILE87D, ILE88C, ILE88D, LEU134C, LEU134D, LEU137C, LEU137D, LEU145C, LEU145D, LEU148C, LEU148D, LEU83C, LEU83D, LYS139C, LYS139D, LYS152C, LYS152D, LYS217C, LYS217D, LYS256C, LYS256D, PHE141C, PHE141D, PHE153C, PHE153D, PHE257C, PHE257D, PRO118C, PRO128C, PRO128D, PRO131C, PRO131D, PRO263C, PRO263D, PRO78C, PRO78D, SER133C, SER133D, SER138C, SER138D, SER147C, SER147D, THR113C, THR113D, THR125C, THR125D, TRP79C, TRP79D, TYR116C, TYR116D, TYR117C, TYR117D, TYR135C, TYR135D, TYR149C, TYR149D, TYR150C, TYR150D, TYR252C, TYR252D, TYR91C, TYR91D, TYR94C, TYR94D, VAL127C, VAL127D, VAL201C, VAL201D, VAL258C, VAL258D