3CW9

4-chlorobenzoyl-coa ligase/synthetase in the thioester-forming conformation, bound to 4-chlorophenacyl-coa

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 148
  • Norm. En. per Res.: -2.8397
• 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	-75.2944	45.7577	-390.734	-420.2707	148	24	3	15173	16	45	55

Interface residues

• A-B: ALA11A, ALA11B, ALA12A, ALA12B, ALA15A, ALA15B, ALA177B, ALA178A, ALA178B, ALA217A, ALA217B, ALA220A, ALA220B, ALA325A, ALA325B, ALA356A, ALA356B, ALA357A, ALA357B, ARG10A, ARG10B, ARG14A, ARG14B, ARG176A, ARG176B, ARG192A, ARG192B, ARG195A, ARG195B, ARG275A, ARG275B, ARG316A, ARG316B, ARG333A, ARG333B, ARG9A, ARG9B, ASN197A, ASN197B, ASN311A, ASN311B, ASP222A, ASP222B, ASP359A, ASP359B, GLN188A, GLN188B, GLN2A, GLN2B, GLN317A, GLN317B, GLU179A, GLU179B, GLU299A, GLU299B, GLU331A, GLU331B, GLU392A, GLU392B, GLU6A, GLU6B, GLY190A, GLY190B, GLY194A, GLY194B, GLY327A, GLY327B, GLY393A, GLY393B, HIS193A, HIS193B, HIS196A, HIS196B, HIS276A, HIS276B, ILE303A, ILE303B, LEU183A, LEU183B, LEU191A, LEU191B, LEU219A, LEU219B, LEU221A, LEU221B, LEU313A, LEU313B, LEU8A, LEU8B, LYS300A, LYS300B, MET185A, MET185B, MET1A, MET1B, MET315A, MET315B, MET7A, MET7B, PHE184A, PHE184B, PHE328A, PHE328B, PHE329A, PHE329B, PRO152A, PRO152B, PRO16A, PRO16B, PRO326A, PRO326B, SER180A, SER180B, SER186A, SER186B, SER312A, SER312B, SER330A, SER330B, SER358A, SER358B, SER360A, SER360B, THR13A, THR13B, THR187A, THR187B, THR278B, THR394A, THR394B, THR3A, THR3B, TRP380A, TRP380B, TRP389A, TRP389B, TYR314A, TYR314B, VAL182A, VAL182B, VAL189A, VAL189B, VAL216A, VAL216B, VAL301A, VAL301B, VAL332A, VAL332B