3U0A

crystal structure of an acyl-coa thioesterase ii tesb2 from mycobacterium marinum

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 242
  • Norm. En. per Res.: -4.1121
• 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	-165.3791	12.1477	-841.908	-995.1394	242	36	8	30820	7	42	56

Interface residues

• A-B: ALA104A, ALA104B, ALA109A, ALA109B, ALA118A, ALA118B, ALA121A, ALA121B, ALA159A, ALA159B, ALA165A, ALA165B, ALA201A, ALA201B, ALA207B, ALA215A, ALA215B, ALA220A, ALA220B, ALA242A, ALA242B, ALA247A, ALA247B, ALA262A, ALA262B, ALA263A, ALA263B, ALA92B, ARG209A, ARG209B, ARG225A, ARG225B, ARG246A, ARG246B, ARG271A, ARG271B, ARG64A, ARG64B, ARG78A, ARG78B, ARG80A, ARG80B, ARG88A, ARG88B, ARG89A, ARG89B, ASN111A, ASN111B, ASN91A, ASN91B, ASP117A, ASP117B, ASP218A, ASP218B, ASP236A, ASP81A, ASP81B, GLN107A, GLN107B, GLN110A, GLN110B, GLN116A, GLN116B, GLN167A, GLN167B, GLN202A, GLN202B, GLN213A, GLN213B, GLN266A, GLN266B, GLN277B, GLN54A, GLN54B, GLU208A, GLU208B, GLU267A, GLU267B, GLU77A, GLU77B, GLU97A, GLU97B, GLY103A, GLY103B, GLY112A, GLY112B, GLY163A, GLY163B, GLY243A, GLY243B, GLY244A, GLY244B, GLY245A, GLY245B, GLY251A, GLY251B, GLY268A, GLY268B, GLY60A, GLY60B, GLY82A, GLY82B, GLY83A, GLY83B, HIS115A, HIS115B, HIS205A, HIS205B, HIS211A, HIS211B, HIS219A, HIS219B, HIS250A, HIS250B, HIS56A, HIS56B, HIS59A, HIS59B, ILE113A, ILE113B, ILE186B, ILE99A, ILE99B, LEU161A, LEU161B, LEU198A, LEU198B, LEU206A, LEU206B, LEU212A, LEU212B, LEU217A, LEU217B, LEU248A, LEU248B, LEU260A, LEU260B, LEU269A, LEU269B, LEU58A, LEU58B, LEU63A, LEU63B, LEU75A, LEU75B, LYS164A, LYS164B, LYS252A, LYS252B, MET102A, MET102B, MET119A, MET119B, MET221A, MET221B, MET224A, MET224B, MET265A, MET265B, PHE100A, PHE100B, PHE106A, PHE106B, PHE223A, PHE223B, PHE254A, PHE254B, PHE62A, PHE62B, PHE85A, PHE85B, PRO120A, PRO120B, PRO160A, PRO160B, PRO162A, PRO162B, PRO240A, PRO240B, PRO273A, PRO273B, PRO278B, SER101A, SER101B, SER105A, SER105B, SER114A, SER114B, SER166A, SER166B, SER200A, SER200B, SER216A, SER238A, SER238B, SER239A, SER239B, SER241A, SER241B, SER274A, SER274B, SER57A, SER57B, SER65A, SER65B, SER84A, SER84B, THR108A, THR108B, THR204A, THR204B, THR249A, THR249B, THR270A, THR270B, THR79A, THR79B, THR87A, THR87B, TRP222A, TRP222B, TYR272A, TYR272B, TYR276A, TYR276B, TYR61A, TYR61B, VAL203A, VAL203B, VAL214A, VAL214B, VAL261A, VAL264A, VAL264B, VAL55A, VAL55B, VAL86A, VAL86B, VAL90A, VAL90B, VAL98A, VAL98B