2F4L

crystal structure of a putative acetamidase (tm0119) from thermotoga maritima msb8 at 2.50 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 190
  • Norm. En. per Res.: -3.8193
• 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	-149.218	12.9144	-589.366	-725.6696	190	22	36	24876	4	47	58
A-C	0.0	0.0	-6.0433	-6.0433	27	0	0	515	0	15	24
A-D	0.0	0.0	-0.1289	-0.1289	6	0	0	46	0	7	13
B-C	0.0	5.2698	-0.1178	5.1519	8	0	0	39	0	4	13
B-D	0.0	15.3779	-1.7599	13.618	16	0	0	166	0	13	17
C-D	-104.992	-5.8094	-621.189	-731.9904	192	27	36	25754	6	47	54

Interface residues

• A-B: ALA176A, ALA176B, ALA187A, ALA187B, ALA251A, ALA251B, ALA255A, ALA255B, ALA273A, ALA273B, ALA275A, ALA275B, ARG116A, ARG116B, ARG234A, ARG234B, ARG276A, ARG276B, ASP113A, ASP113B, ASP180A, ASP180B, ASP224A, ASP224B, ASP250A, ASP250B, ASP260A, ASP260B, ASP93A, ASP93B, CYS184A, CYS184B, CYS188A, CYS188B, GLN265A, GLN265B, GLU182A, GLU182B, GLU189A, GLU189B, GLU226A, GLU226B, GLU227A, GLU227B, GLU231A, GLU231B, GLU235A, GLU235B, GLU94A, GLU94B, GLU96A, GLU96B, GLY114A, GLY114B, GLY179A, GLY179B, GLY181A, GLY181B, GLY262A, GLY262B, GLY85A, GLY85B, GLY87A, GLY87B, GLY89A, GLY89B, GLY92A, GLY92B, GLY97A, GLY97B, HIS120A, HIS120B, HIS175A, HIS175B, HIS99A, HIS99B, ILE117A, ILE117B, ILE225A, ILE225B, ILE240A, ILE240B, ILE246A, ILE246B, ILE263A, ILE263B, ILE281A, ILE281B, ILE82A, ILE82B, LEU103A, LEU103B, LEU111A, LEU111B, LEU229A, LEU229B, LEU254A, LEU254B, LEU257A, LEU257B, LEU266A, LEU266B, LEU91A, LEU91B, LYS101A, LYS101B, LYS150A, LYS150B, LYS230A, LYS230B, LYS244A, LYS244B, LYS271A, LYS271B, LYS274A, LYS274B, LYS279A, LYS279B, LYS86A, LYS86B, PHE112A, PHE112B, PHE248A, PHE248B, PHE282A, PHE282B, PHE88A, PHE88B, PHE98A, PHE98B, PRO118A, PRO118B, PRO223A, PRO223B, PRO247A, PRO247B, PRO278A, PRO278B, SER186A, SER186B, SER256A, SER256B, SER258A, SER258B, SER264A, SER264B, THR100A, THR100B, THR177A, THR177B, THR233A, THR233B, THR236A, THR236B, THR249A, THR249B, THR283A, THR283B, THR84A, THR84B, TRP238A, TRP238B, TYR252A, TYR252B, TYR280A, TYR280B, VAL110A, VAL110B, VAL115A, VAL115B, VAL183A, VAL183B, VAL185A, VAL185B, VAL232A, VAL232B, VAL237A, VAL237B, VAL259A, VAL259B, VAL261A, VAL261B, VAL267A, VAL267B, VAL83A, VAL83B, VAL90A, VAL90B, VAL95A, VAL95B
• A-C: ASP224A, ASP93A, ASP93C, GLU132A, GLU132C, GLU134A, GLU134C, GLU227A, GLU94C, GLU96A, GLU96C, GLY133A, GLY133C, GLY87C, GLY92C, GLY97C, HIS141A, HIS143A, LEU222A, LYS86A, LYS86C, PRO136C, PRO223A, PRO223C, THR139A, TYR135A, TYR135C
• A-D: ASP224A, GLU226A, GLU227A, GLU227D, LYS230D, PRO223A
• B-C: ASP224B, ASP224C, GLU226B, GLU226C, GLU227B, LYS230B, PRO223B, PRO223C
• B-D: ASP224B, ASP224D, ASP93D, GLN131D, GLU132B, GLU132D, GLU226B, GLU226D, GLU227B, GLU227D, GLY133D, GLY87B, LYS86B, LYS86D, PRO223B, PRO223D
• C-D: ALA176C, ALA176D, ALA187C, ALA187D, ALA228C, ALA228D, ALA251C, ALA251D, ALA255C, ALA255D, ALA273C, ALA273D, ALA275C, ALA275D, ARG116C, ARG116D, ARG234C, ARG234D, ARG276C, ARG276D, ASP113C, ASP113D, ASP180C, ASP180D, ASP224C, ASP224D, ASP250C, ASP250D, ASP260C, ASP260D, ASP93C, ASP93D, CYS184C, CYS184D, CYS188C, CYS188D, GLN265C, GLN265D, GLU182C, GLU182D, GLU189C, GLU189D, GLU226C, GLU226D, GLU227C, GLU227D, GLU231C, GLU231D, GLU235C, GLU235D, GLU94C, GLU94D, GLU96C, GLU96D, GLY114C, GLY114D, GLY179C, GLY179D, GLY181C, GLY181D, GLY262C, GLY262D, GLY85C, GLY85D, GLY87C, GLY87D, GLY89C, GLY89D, GLY92C, GLY92D, GLY97C, GLY97D, HIS120C, HIS120D, HIS175C, HIS175D, HIS99C, HIS99D, ILE117C, ILE117D, ILE225C, ILE225D, ILE240C, ILE240D, ILE246C, ILE246D, ILE263C, ILE263D, ILE281C, ILE281D, ILE82C, ILE82D, LEU103C, LEU103D, LEU111C, LEU111D, LEU229C, LEU229D, LEU254C, LEU254D, LEU257C, LEU257D, LEU266C, LEU266D, LEU91C, LEU91D, LYS101C, LYS101D, LYS150C, LYS150D, LYS230C, LYS230D, LYS244C, LYS244D, LYS271C, LYS271D, LYS274C, LYS274D, LYS279C, LYS279D, LYS86C, LYS86D, PHE112C, PHE112D, PHE248C, PHE248D, PHE282C, PHE282D, PHE88C, PHE88D, PHE98C, PHE98D, PRO118C, PRO118D, PRO223C, PRO223D, PRO247C, PRO247D, PRO278C, PRO278D, SER186C, SER186D, SER256C, SER256D, SER258C, SER258D, SER264C, SER264D, THR100C, THR100D, THR177C, THR177D, THR233C, THR233D, THR236C, THR236D, THR249C, THR249D, THR283C, THR283D, THR84C, THR84D, TRP238C, TRP238D, TYR252C, TYR252D, TYR280C, TYR280D, VAL110C, VAL110D, VAL115C, VAL115D, VAL183C, VAL183D, VAL185C, VAL185D, VAL232C, VAL232D, VAL237C, VAL237D, VAL259C, VAL259D, VAL261C, VAL261D, VAL267C, VAL267D, VAL83C, VAL83D, VAL90C, VAL90D, VAL95C, VAL95D