3P94

crystal structure of a gdsl-like lipase (bdi_0976) from parabacteroides distasonis atcc 8503 at 1.93 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 95
  • Norm. En. per Res.: -4.0417
• 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	8.6909	-8.5986	0.0923	8	0	0	255	0	2	6
A-C	0.0	-5.5305	-33.8369	-39.3674	31	0	0	1516	0	14	22
A-D	-29.4809	-72.1477	-268.151	-369.7796	94	6	7	10399	7	27	22
B-C	-35.9945	-68.2842	-279.679	-383.9577	95	3	7	10702	6	25	21
B-D	0.0	-4.3295	-35.9935	-40.323	36	3	0	1595	0	15	25

Interface residues

• A-B: ALA135A, ALA135B, ASN136A, ASN136B, HIS137A, HIS137B, LYS134A, LYS134B
• A-C: ALA135C, ALA174A, ALA174C, ASN136C, ASN177A, ASN177C, ASP175A, ASP175C, GLU172C, GLY178A, GLY178C, HIS137A, HIS137C, HIS223A, ILE138C, LEU179A, LEU179C, LYS134A, LYS134C, LYS139A, LYS139C, LYS171A, LYS176A, LYS176C, LYS224A, LYS227A, LYS99C, THR180A, THR225A, TYR173C, VAL226A
• A-D: ALA118A, ALA118D, ALA130A, ALA130D, ALA133A, ALA133D, ALA135A, ALA135D, ALA30A, ALA30D, ALA36A, ALA36D, ARG154A, ARG154D, ARG88A, ARG88D, ARG90A, ARG90D, ASN113A, ASN113D, ASN114A, ASN114D, ASN121A, ASN121D, ASN125A, ASN125D, ASN136A, ASN136D, ASN95A, ASN95D, ASP28A, ASP28D, GLN31A, GLN31D, GLN91A, GLN91D, GLU120A, GLU120D, GLU131A, GLU131D, GLU25A, GLU84A, GLU84D, GLY0A, GLY115A, GLY115D, GLY124A, GLY124D, GLY27A, GLY27D, GLY33A, GLY33D, HIS112A, HIS112D, ILE117A, ILE117D, ILE94A, ILE94D, LEU126A, LEU126D, LEU132A, LEU132D, LEU86A, LEU86D, LYS134A, LYS134D, LYS26A, LYS26D, PHE123A, PHE123D, PHE32A, PHE32D, PHE89A, PHE89D, SER128A, SER128D, SER83A, SER83D, THR81A, THR81D, THR82A, THR82D, TRP29A, TRP29D, TYR173A, TYR173D, VAL116A, VAL116D, VAL122A, VAL122D, VAL127A, VAL127D, VAL87A, VAL87D
• B-C: ALA118B, ALA118C, ALA130B, ALA130C, ALA133B, ALA133C, ALA135B, ALA135C, ALA30B, ALA30C, ALA36B, ALA36C, ARG154C, ARG88B, ARG88C, ARG90B, ARG90C, ASN113C, ASN114B, ASN114C, ASN121B, ASN121C, ASN125B, ASN125C, ASN136B, ASN136C, ASN95B, ASN95C, ASP109B, ASP28B, ASP28C, GLN31B, GLN31C, GLN91B, GLN91C, GLU120B, GLU120C, GLU131B, GLU131C, GLU25B, GLU84B, GLU84C, GLY0B, GLY115B, GLY115C, GLY124B, GLY124C, GLY27B, GLY27C, GLY33B, GLY33C, HIS112B, HIS112C, HIS137B, ILE117B, ILE117C, ILE94B, ILE94C, LEU126B, LEU126C, LEU132B, LEU132C, LEU86B, LEU86C, LYS134B, LYS134C, LYS26B, LYS40B, LYS40C, PHE123B, PHE123C, PHE32B, PHE32C, PHE89B, PHE89C, SER128B, SER128C, SER83B, SER83C, THR81B, THR81C, THR82B, THR82C, TRP29B, TRP29C, TYR173B, TYR173C, VAL116B, VAL116C, VAL122B, VAL122C, VAL127B, VAL127C, VAL87B, VAL87C
• B-D: ALA135D, ALA174B, ALA174D, ASN136D, ASN177B, ASN177D, ASP175B, ASP175D, GLY178B, GLY178D, HIS137D, HIS223B, ILE138D, LEU179B, LEU179D, LYS134B, LYS134D, LYS139B, LYS139D, LYS171B, LYS176B, LYS176D, LYS224B, LYS224D, LYS227B, LYS97D, LYS99B, LYS99D, PRO45D, THR180B, THR180D, THR225B, THR225D, TYR173D, TYR181B, VAL226B