3GYG

crystal structure of yhjk (haloacid dehalogenase-like hydrolase protein) from bacillus subtilis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 151
  • Norm. En. per Res.: -3.8026
• 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	-37.384	8.5415	-66.9397	-95.7822	49	3	0	2682	0	29	27
A-C	0.0	0.0	-0.1227	-0.1227	8	0	0	30	0	7	6
A-D	-100.515	17.7032	-473.26	-556.0718	160	28	7	18630	0	70	65
B-C	-111.5219	-17.6619	-445.014	-574.1978	151	34	4	18187	2	65	60
B-D	0.0	2.5242	-39.6042	-37.0799	37	1	0	1769	0	18	18
C-D	-30.0332	8.0837	-49.5171	-71.4666	41	3	0	2503	0	25	22

Interface residues

• A-B: ARG226B, ARG284B, ASN103A, ASN103B, ASN221A, ASN221B, ASN223B, ASP56A, ASP56B, GLN106A, GLN19A, GLN19B, GLN52B, GLU101A, GLU101B, GLU16A, GLU16B, GLU218A, GLU58B, GLY57A, GLY57B, HIS102A, HIS102B, HIS17A, HIS17B, HIS86B, ILE60B, LEU12B, LEU217B, LEU222B, LEU59B, LYS110A, LYS219A, LYS219B, LYS53B, LYS55A, LYS55B, PRO18A, PRO18B, SER100A, SER13B, SER54B, THR14A, THR14B, TYR220A, TYR220B, TYR98A, VAL15A, VAL15B
• A-C: ASN221A, ASN221C, GLU117C, GLU122A, GLU122C, GLU218A, LYS110A, SER113C
• A-D: ALA0A, ALA0D, ARG114A, ARG114D, ARG149A, ARG78D, ARG82A, ARG82D, ASN-1A, ASN-1D, ASN103A, ASN103D, ASN109A, ASN109D, ASN112A, ASN112D, ASN116A, ASN116D, ASN140A, ASN153A, ASN153D, ASN183A, ASN183D, ASP108A, ASP108D, ASP201A, ASP201D, ASP74D, ASP91A, ASP91D, GLN106A, GLN106D, GLN107A, GLN107D, GLN142A, GLN40D, GLU101A, GLU101D, GLU117A, GLU117D, GLU122A, GLU122D, GLU125A, GLU125D, GLU70A, GLU70D, GLU8A, GLU8D, GLU95A, GLU95D, GLY105A, GLY105D, GLY118A, GLY118D, GLY66A, GLY66D, GLY77D, GLY79D, GLY93A, GLY93D, HIS102A, HIS102D, HIS152A, HIS33D, ILE115A, ILE115D, ILE203A, ILE203D, ILE35D, ILE69A, ILE69D, ILE72D, ILE96A, ILE96D, LEU2A, LEU2D, LEU3A, LEU3D, LEU73D, LEU92A, LEU92D, LYS10A, LYS10D, LYS110A, LYS110D, LYS121A, LYS121D, LYS123A, LYS123D, LYS147A, LYS151A, LYS5A, LYS5D, LYS6A, LYS6D, LYS75D, LYS80D, PHE104A, PHE104D, PHE119A, PHE119D, PHE154A, PHE154D, PHE202A, PHE202D, PHE31D, PHE81A, PHE84D, PHE99A, PHE99D, PRO141A, PRO204A, PRO204D, SER-2D, SER100A, SER100D, SER113A, SER113D, SER120A, SER120D, SER148A, SER181A, SER4A, SER4D, SER67A, SER67D, SER68A, SER68D, SER71D, SER7A, SER7D, SER90A, SER90D, THR11A, THR11D, THR143A, THR207A, THR207D, THR94A, THR94D, THR97A, THR97D, TRP111A, TRP111D, TYR150A, TYR83A, TYR83D, TYR98A, TYR98D, TYR9A, TYR9D, VAL124A, VAL124D, VAL128A, VAL128D, VAL180A, VAL180D, VAL182A, VAL200A, VAL200D
• B-C: ALA0B, ALA0C, ARG114B, ARG114C, ARG78B, ARG82B, ARG82C, ASN-1B, ASN-1C, ASN103B, ASN103C, ASN109B, ASN109C, ASN112B, ASN112C, ASN116B, ASN116C, ASN153C, ASN183C, ASP108B, ASP108C, ASP201B, ASP201C, ASP74B, ASP91B, ASP91C, GLN106B, GLN106C, GLN107B, GLN107C, GLN142C, GLN144C, GLU101B, GLU101C, GLU117B, GLU117C, GLU122B, GLU122C, GLU125B, GLU125C, GLU70B, GLU70C, GLU8B, GLU8C, GLU95B, GLU95C, GLY105B, GLY105C, GLY118B, GLY118C, GLY66B, GLY66C, GLY77B, GLY79B, GLY93B, GLY93C, HIS102B, HIS102C, HIS152C, ILE115B, ILE115C, ILE203B, ILE203C, ILE69B, ILE69C, ILE96B, ILE96C, LEU127C, LEU145C, LEU2B, LEU2C, LEU3B, LEU3C, LEU73B, LEU92B, LEU92C, LYS10B, LYS10C, LYS110B, LYS110C, LYS121B, LYS121C, LYS123B, LYS123C, LYS147C, LYS151C, LYS219B, LYS5B, LYS5C, LYS6B, LYS6C, LYS75B, LYS80B, PHE104B, PHE104C, PHE119B, PHE119C, PHE154C, PHE202B, PHE202C, PHE31B, PHE81B, PHE84B, PHE99B, PHE99C, PRO141C, PRO204B, PRO204C, SER-2B, SER-2C, SER100B, SER100C, SER113B, SER113C, SER120B, SER120C, SER4B, SER4C, SER67B, SER67C, SER68B, SER68C, SER71B, SER7B, SER7C, SER90B, SER90C, THR11B, THR11C, THR143C, THR207B, THR207C, THR94B, THR94C, THR97B, THR97C, TRP111B, TRP111C, TYR150C, TYR83B, TYR83C, TYR98B, TYR98C, TYR9B, TYR9C, VAL124B, VAL124C, VAL128B, VAL128C, VAL180C, VAL200C
• B-D: ARG114B, ARG114D, ASN109B, ASN109D, ASN112B, ASN112D, ASN116B, ASN116D, ASN221B, ASN221D, ASN223B, GLU117B, GLU117D, GLU16D, GLU218B, GLU218D, GLY118D, HIS17B, HIS17D, ILE115B, ILE115D, LEU217B, LEU217D, LEU222B, LEU222D, LYS110B, LYS110D, LYS219B, LYS219D, PHE215B, PHE215D, SER113B, SER113D, TRP111B, TRP111D, TYR220B, TYR220D
• C-D: ARG226C, ARG226D, ASN103C, ASN221C, ASN221D, ASP56D, GLN106C, GLN19C, GLN19D, GLU101D, GLU16C, GLU16D, GLU218C, GLU58D, GLY57C, GLY57D, HIS102C, HIS102D, HIS17C, HIS17D, HIS86D, LEU12D, LEU217C, LEU222C, LEU222D, LEU59D, LYS219C, LYS53D, LYS55D, PRO18C, PRO18D, SER100C, SER13D, SER54D, THR14C, THR14D, TYR220C, TYR220D, TYR98C, VAL15C, VAL15D