1NYT

shikimate dehydrogenase aroe complexed with nadp+

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 43
  • Norm. En. per Res.: -1.7576
• 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	-11.8531	24.1998	-111.609	-99.2623	95	5	5	6525	1	35	38
A-D	-12.3187	6.1774	-79.0749	-85.2162	59	1	3	3688	0	8	11
B-C	-8.5691	10.7883	-77.2009	-74.9817	59	1	3	3629	0	7	11
B-D	-21.1876	44.1791	-113.231	-90.2395	93	3	4	6507	1	36	42
C-D	0.0	0.0	-75.5756	-75.5756	43	3	0	3440	0	6	8

Interface residues

• A-C: ALA243A, ALA24A, ALA80A, ARG112A, ARG112C, ARG117A, ARG117C, ARG78A, ARG78C, ARG90C, ARG95C, ASN28A, ASN28C, ASP109A, ASP109C, ASP142A, ASP142C, ASP93C, GLN26A, GLN26C, GLU111A, GLU111C, GLU30A, GLU30C, GLU74C, GLU77A, GLU77C, GLU92A, GLU92C, GLY103A, GLY103C, GLY105A, GLY105C, GLY119A, GLY254A, GLY254C, GLY94C, HIS164A, HIS164C, HIS247A, HIS247C, HIS253A, HIS253C, ILE116A, ILE116C, ILE29A, ILE29C, LEU106A, LEU107A, LEU107C, LEU110A, LEU120A, LEU136A, LEU136C, LEU141A, LEU141C, LEU250A, LEU250C, LEU251A, LEU251C, LEU256A, LEU256C, LEU27A, LEU27C, LEU75A, LEU81A, LEU91A, LEU91C, LEU97A, LEU97C, LYS56C, MET89A, MET89C, PHE162A, PHE249A, PHE249C, PRO118A, PRO118C, PRO137A, PRO137C, PRO257A, PRO257C, SER108A, SER108C, SER140A, SER140C, THR165A, THR76A, THR76C, TRP252A, TRP252C, VAL104A, VAL104C, VAL255A, VAL255C
• A-D: ALA12D, ALA144A, ALA159A, ALA163A, ALA170A, ALA38D, ALA49D, ALA53D, ALA5D, ARG35D, ASN41D, ASN45D, ASN48D, ASN9D, ASP142A, ASP42D, CYS143A, GLN169A, GLU156A, GLU2D, GLU30D, GLY166A, GLY34D, GLY54D, GLY55D, HIS13D, HIS164A, HIS179A, ILE11D, ILE168A, ILE40D, LEU136A, LEU138A, LEU139A, LEU141A, LEU161A, LEU171A, LEU37D, LEU47D, LEU81A, LYS160A, MET1D, PHE162A, PHE50D, PHE51D, PHE7D, PRO17D, PRO32D, PRO39D, SER140A, SER167A, SER52D, THR165A, THR3D, THR46D, TYR33D, TYR4D, VAL36D, VAL6D
• B-C: ALA12C, ALA144B, ALA159B, ALA163B, ALA170B, ALA38C, ALA49C, ALA53C, ALA5C, ARG35C, ASN41C, ASN45C, ASN48C, ASN9C, ASP142B, ASP42C, CYS143B, GLN169B, GLU156B, GLU157B, GLU2C, GLU77B, GLY166B, GLY34C, GLY55C, HIS13C, HIS164B, HIS179B, ILE11C, ILE168B, ILE40C, LEU136B, LEU138B, LEU139B, LEU141B, LEU161B, LEU171B, LEU37C, LEU47C, LEU81B, LYS160B, MET1C, PHE162B, PHE50C, PHE51C, PHE7C, PRO17C, PRO32C, PRO39C, SER140B, SER167B, SER52C, THR165B, THR3C, THR46C, TYR33C, TYR4C, VAL36C, VAL6C
• B-D: ALA24B, ALA80B, ARG112B, ARG112D, ARG117B, ARG117D, ARG78B, ARG78D, ARG90B, ARG90D, ARG95D, ASN28B, ASN28D, ASP142B, ASP142D, ASP93B, ASP93D, GLN26B, GLN26D, GLU111B, GLU111D, GLU30B, GLU30D, GLU74B, GLU74D, GLU77B, GLU77D, GLU92B, GLU92D, GLY103B, GLY103D, GLY105B, GLY105D, GLY119B, GLY254B, GLY254D, GLY94D, HIS164B, HIS164D, HIS247B, HIS247D, HIS253B, HIS253D, HIS31B, ILE116B, ILE116D, ILE29B, ILE29D, LEU107B, LEU107D, LEU136B, LEU136D, LEU141B, LEU141D, LEU250B, LEU250D, LEU251B, LEU251D, LEU256B, LEU256D, LEU27B, LEU27D, LEU81B, LEU81D, LEU91B, LEU91D, LEU97B, LEU97D, LYS56B, MET89B, MET89D, PHE162D, PHE249B, PHE249D, PRO118B, PRO118D, PRO137B, PRO137D, PRO257B, PRO257D, SER108B, SER108D, SER140B, SER140D, THR165D, THR76B, THR76D, TRP252B, TRP252D, VAL104B, VAL104D, VAL255B, VAL255D
• C-D: ALA49C, ALA49D, ALA53C, ALA53D, ARG90C, ARG90D, ARG95C, ARG95D, ASN48C, ASN48D, ASP93C, ASP93D, GLU2C, GLU2D, GLU30C, GLU30D, GLU92C, GLU92D, GLY54C, GLY54D, GLY55C, GLY55D, GLY94C, GLY94D, HIS253D, LEU91C, LEU91D, LYS56C, LYS56D, MET1C, MET1D, PHE50C, PHE50D, PHE51C, PHE51D, PRO32C, PRO32D, SER52C, SER52D, THR3C, THR3D, TYR4C, TYR4D