3HGJ

old yellow enzyme from thermus scotoductus sa-01 complexed with p-hydroxy-benzaldehyde

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 103
  • Norm. En. per Res.: -3.668
• 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	-18.2655	-69.7606	-79.544	-167.5701	56	4	0	2991	6	34	25
A-C	-7.3033	-45.6843	-71.1989	-124.1865	58	1	0	2622	5	28	23
A-D	-5.922	-23.1304	-348.754	-377.8064	103	10	3	13242	2	25	37
B-D	0.0	0.0	-0.0164	-0.0164	2	0	0	4	0	2	3

Interface residues

• A-B: ALA145B, ALA164A, ALA87A, ALA93A, ARG123B, ARG149B, ARG14A, ARG163A, ARG218A, ARG290A, ARG66B, ARG88A, ARG89A, ARG91A, ASP78B, GLN167A, GLU140B, GLU219A, GLU32B, GLU34B, GLU62B, GLU77B, GLU92A, GLU9A, GLY11A, GLY121B, GLY12A, GLY146B, GLY165A, GLY94A, LEU10A, LEU120B, LEU13A, LEU15A, LEU220A, LEU31B, LEU64B, LEU80A, LEU8A, LYS16A, LYS84A, PRO137B, PRO139B, PRO217A, PRO221A, PRO63B, PRO7A, PRO97A, SER76B, THR30B, TRP122B, TRP75B, TYR70B, VAL124B, VAL125B, VAL138B
• A-C: ALA145A, ALA164C, ALA93C, ARG123A, ARG149A, ARG14C, ARG163C, ARG218C, ARG66A, ARG88C, ARG89C, ARG91C, ASP143A, ASP78A, GLN167C, GLU140A, GLU144A, GLU148A, GLU219C, GLU32A, GLU34A, GLU62A, GLU77A, GLU85C, GLU92C, GLU9C, GLY11C, GLY121A, GLY12C, GLY146A, GLY94C, ILE150A, LEU10C, LEU120A, LEU13C, LEU142A, LEU15C, LEU220C, LEU31A, LEU64A, LEU80C, LEU8C, LYS84C, MET147A, PRO137A, PRO139A, PRO217C, PRO221C, PRO63A, PRO7C, PRO81C, SER76A, THR30A, TRP122A, TRP75A, VAL124A, VAL125A, VAL138A
• A-D: ALA47A, ALA47D, ALA93A, ALA93D, ARG112A, ARG112D, ARG319A, ARG319D, ARG323A, ARG323D, ARG330A, ARG330D, ARG347A, ARG347D, ARG46A, ARG46D, ARG88A, ARG88D, ARG89A, ARG89D, ASP324A, ASP324D, ASP37A, ASP37D, CYS25A, CYS25D, GLN26A, GLN26D, GLN344A, GLN344D, GLN346A, GLN346D, GLU115A, GLU115D, GLU85A, GLU85D, GLU92A, GLU92D, GLY318A, GLY318D, GLY348A, GLY348D, GLY49A, GLY49D, HIS39A, HIS39D, HIS42A, HIS42D, LEU321A, LEU321D, LEU322A, LEU322D, LEU329A, LEU329D, LEU40A, LEU40D, LEU41A, LEU41D, LEU48A, LEU48D, LYS333A, LYS333D, MET21A, MET21D, MET24A, MET24D, PHE327A, PHE327D, PHE349A, PHE349D, PRO113A, PRO113D, PRO325A, PRO325D, PRO342A, PRO342D, PRO343A, PRO343D, PRO44A, PRO44D, SER28A, SER28D, THR36A, THR36D, THR45A, THR45D, TRP114A, TRP114D, TRP38A, TRP38D, TYR177A, TYR27A, TYR27D, TYR326A, TYR326D, TYR345A, TYR345D, TYR43A, TYR43D, VAL320A, VAL320D, VAL341A, VAL341D
• B-D: GLU115B, GLU115D