3E6E

crystal structure of alanine racemase from e.faecalis complex with cycloserine

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 295
  • Norm. En. per Res.: -3.5154
• 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-B	-24.6002	-2.2648	-101.945	-128.81	95	6	0	5007	2	41	50
A-C	-170.0679	-129.5396	-737.437	-1037.0445	295	54	4	30161	14	106	79
B-C	0.0	0.0	-0.0705	-0.0705	3	0	0	11	0	0	2

Interface residues

• A-B: ALA238A, ALA238B, ALA275A, ALA275B, ALA322A, ALA322B, ARG28A, ARG28B, ARG305A, ARG305B, ARG320A, ARG320B, ASN231A, ASN231B, ASN235A, ASN235B, ASN339A, ASN339B, ASP177A, ASP177B, ASP215B, ASP337A, CYS306A, CYS306B, GLU175A, GLU175B, GLU182A, GLU182B, GLU274A, GLU274B, GLU276A, GLU276B, GLU277A, GLU277B, GLU307A, GLU307B, GLU323A, GLU323B, GLU340A, GLU340B, GLU341A, GLU341B, GLU349A, GLU349B, GLY296A, GLY296B, GLY303A, GLY303B, GLY338A, GLY338B, HIS213A, HIS213B, ILE176A, ILE176B, ILE308A, LEU211B, LEU237A, LEU237B, LEU300A, LEU300B, LEU321A, LEU321B, LYS183A, LYS183B, LYS236A, LYS236B, LYS304A, LYS304B, MET346A, MET346B, PHE297A, PRO214B, PRO239A, PRO239B, SER179A, SER179B, SER233A, SER233B, SER240A, SER240B, THR178A, THR178B, THR298A, THR298B, TRP212A, TRP212B, TRP278A, TYR180B, TYR241A, TYR241B, TYR271A, TYR271B, VAL299A, VAL299B, VAL309A
• A-C: ALA107A, ALA107C, ALA173A, ALA173C, ALA208A, ALA208C, ALA260A, ALA260C, ALA261A, ALA261C, ALA287A, ALA287C, ALA348A, ALA348C, ALA359A, ALA359C, ALA41A, ALA41C, ALA48A, ALA48C, ALA66A, ALA66C, ALA71A, ALA71C, ALA92A, ALA92C, ARG10A, ARG10C, ARG139A, ARG139C, ARG187A, ARG187C, ARG222A, ARG258A, ARG258C, ARG292A, ARG292C, ARG311A, ARG311C, ARG365A, ARG365C, ARG368A, ARG368C, ARG7A, ARG7C, ASN206A, ASN206C, ASN42A, ASN42C, ASP134A, ASP134C, ASP174A, ASP174C, ASP177C, ASP288A, ASP288C, ASP315A, ASP315C, ASP69A, ASP69C, ASP90A, ASP90C, CYS313A, CYS313C, CYS317A, CYS317C, CYS360A, CYS360C, GLN184A, GLN184C, GLN316A, GLN316C, GLN364A, GLN364C, GLU110A, GLU110C, GLU147A, GLU175A, GLU175C, GLU252A, GLU252C, GLU263A, GLU263C, GLU269A, GLU269C, GLU352A, GLU352C, GLU357A, GLU357C, GLU70A, GLU70C, GLU73A, GLU73C, GLY136A, GLY136C, GLY138A, GLY138C, GLY141A, GLY141C, GLY224A, GLY224C, GLY262A, GLY262C, GLY264A, GLY264C, GLY266A, GLY266C, GLY268A, GLY268C, GLY280A, GLY280C, GLY285A, GLY285C, GLY289A, GLY289C, GLY310A, GLY310C, GLY328C, GLY43A, GLY43C, GLY45A, GLY45C, GLY47A, GLY47C, GLY4A, GLY4C, HIS169A, HIS169C, HIS255A, HIS255C, HIS293A, HIS293C, HIS355A, HIS355C, HIS6A, HIS6C, ILE140A, ILE140C, ILE254A, ILE254C, ILE265A, ILE265C, ILE279A, ILE279C, ILE284A, ILE284C, ILE319A, ILE319C, ILE354A, ILE354C, ILE366A, ILE366C, ILE72A, ILE72C, ILE85A, ILE85C, LEU143A, LEU143C, LEU230C, LEU253A, LEU253C, LEU259A, LEU259C, LEU291A, LEU291C, LEU294A, LEU294C, LEU351A, LEU351C, LEU67A, LEU67C, LEU68A, LEU68C, LEU74A, LEU86A, LEU86C, LEU91A, LEU91C, LEU96A, LEU96C, LEU97C, LYS132A, LYS132C, LYS183A, LYS183C, LYS236A, LYS236C, LYS257A, LYS257C, LYS40A, LYS40C, MET137A, MET137C, MET314A, MET314C, MET318A, MET318C, PHE142A, PHE142C, PHE170A, PHE170C, PHE181A, PHE181C, PHE362A, PHE362C, PRO283A, PRO283C, PRO367A, PRO367C, PRO8A, PRO8C, SER171A, SER171C, SER179A, SER179C, SER363A, SER363C, SER87A, SER87C, THR105A, THR105C, THR108A, THR108C, THR135A, THR135C, THR172A, THR172C, THR270A, THR270C, THR273A, THR273C, THR281A, THR281C, THR353A, THR353C, THR361A, THR361C, THR9A, THR9C, TRP111A, TRP111C, TRP290A, TRP290C, TRP5A, TRP5C, TYR100A, TYR100C, TYR180A, TYR180C, TYR228A, TYR228C, TYR267A, TYR267C, TYR271A, TYR271C, TYR286A, TYR286C, TYR356A, TYR356C, TYR44A, TYR44C, TYR93A, TYR93C, VAL106A, VAL133A, VAL225A, VAL225C, VAL256A, VAL256C, VAL272A, VAL272C, VAL282A, VAL282C, VAL2A, VAL2C, VAL309A, VAL309C, VAL312A, VAL312C, VAL327A, VAL327C, VAL358A, VAL358C, VAL38A, VAL38C, VAL3A, VAL3C, VAL49A, VAL49C, VAL65A, VAL65C, VAL88A, VAL88C, VAL89A, VAL89C
• B-C: GLU269C, GLU274B, VAL272C