1SZQ

crystal structure of 2-methylcitrate dehydratase

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 210
  • Norm. En. per Res.: -3.9132
• Hub Node: A(1)

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	-111.5069	-96.5256	-613.742	-821.7745	210	44	17	24908	14	42	26

Interface residues

• A-B: ALA122A, ALA197A, ALA197B, ALA201A, ALA201B, ALA214A, ALA214B, ALA224A, ALA224B, ALA228A, ALA228B, ALA239A, ALA239B, ALA249A, ALA249B, ALA252A, ALA252B, ALA56A, ALA56B, ALA88A, ALA88B, ALA89A, ALA94A, ALA94B, ARG166A, ARG166B, ARG209A, ARG209B, ARG212A, ARG212B, ARG220A, ARG220B, ARG231A, ARG231B, ARG234A, ARG234B, ASN130A, ASN130B, ASN165A, ASN165B, ASN216A, ASN216B, ASN72A, ASN72B, ASN91A, ASN91B, ASP13A, ASP13B, ASP170A, ASP170B, ASP204A, ASP204B, ASP227A, ASP227B, ASP259A, ASP259B, ASP84A, ASP84B, CYS57A, CYS57B, GLN206A, GLN206B, GLN82A, GLN82B, GLN87A, GLN87B, GLU11A, GLU11B, GLU243A, GLU243B, GLY168A, GLY168B, GLY205A, GLY205B, GLY218A, GLY218B, GLY226A, GLY226B, GLY242A, GLY242B, GLY245A, GLY245B, GLY256A, GLY256B, GLY62A, GLY62B, GLY67A, GLY67B, GLY73A, GLY73B, HIS213A, HIS213B, ILE64A, ILE64B, LEU169A, LEU169B, LEU200A, LEU200B, LEU208A, LEU208B, LEU235A, LEU235B, LEU237A, LEU237B, LEU250A, LEU250B, LEU60A, LEU60B, LEU61A, LEU61B, LEU83A, LEU83B, LYS176A, LYS176B, LYS221A, LYS221B, LYS240A, LYS240B, LYS263A, LYS263B, LYS58A, LYS58B, LYS59A, LYS59B, PHE12A, PHE12B, PHE164A, PHE164B, PHE257A, PHE257B, PHE262A, PHE262B, PHE90A, PHE90B, PRO215A, PRO215B, PRO247A, PRO247B, PRO253A, PRO253B, PRO55B, PRO63A, PRO63B, PRO66A, PRO66B, PRO71A, PRO71B, PRO85A, PRO85B, SER199A, SER199B, SER207A, SER207B, SER222A, SER222B, SER230A, SER230B, SER248A, SER248B, SER261A, SER261B, THR123A, THR210A, THR210B, THR217A, THR217B, THR219A, THR219B, THR241A, THR241B, THR251A, THR251B, THR68A, THR68B, TRP126A, TRP126B, TRP202A, TRP202B, TRP223A, TRP223B, TRP255A, TRP255B, TRP98A, TRP98B, TYR211A, TYR211B, TYR246A, TYR246B, TYR258A, TYR258B, VAL167A, VAL167B, VAL203A, VAL203B, VAL233A, VAL233B, VAL254A, VAL254B, VAL260A, VAL260B, VAL65A, VAL65B, VAL69A, VAL69B, VAL70A, VAL70B, VAL74A, VAL74B, VAL86A, VAL86B