3OP1

crystal structure of macrolide-efflux protein sp_1110 from streptococcus pneumoniae

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 133
  • Norm. En. per Res.: -3.0751
• 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	-79.9968	-26.4049	-302.582	-408.9837	133	21	6	12551	7	31	40
A-C	-18.1454	-5.7552	-41.6089	-65.5095	53	1	0	2451	1	36	35
B-C	0.0	0.0	-1.4194	-1.4194	2	0	0	108	0	1	2

Interface residues

• A-B: ALA103A, ALA103B, ALA252B, ALA63A, ALA63B, ALA79A, ARG190A, ARG190B, ARG215A, ARG215B, ARG232A, ARG232B, ARG253A, ARG253B, ARG83B, ASN197A, ASN197B, ASN209A, ASN209B, ASN244A, ASN262B, ASN57A, ASN57B, ASN9A, ASN9B, ASP12A, ASP12B, ASP214A, ASP214B, ASP248A, ASP248B, ASP264A, ASP264B, ASP70B, ASP97A, ASP97B, GLN101A, GLN101B, GLN10B, GLN231A, GLN231B, GLN233A, GLN233B, GLN263A, GLN263B, GLU229A, GLU229B, GLU251A, GLU251B, GLU268A, GLU268B, GLU58A, GLU58B, GLU65A, GLU65B, GLY191A, GLY191B, GLY196A, GLY196B, GLY267A, GLY267B, HIS195A, HIS195B, HIS68A, HIS68B, HIS74A, ILE230A, ILE230B, ILE265A, ILE265B, ILE62A, ILE62B, ILE7A, ILE7B, LEU210A, LEU210B, LEU212A, LEU212B, LEU213A, LEU213B, LEU64A, LEU64B, LEU71A, LEU71B, LEU96A, LEU96B, LYS11A, LYS11B, LYS61A, LYS61B, LYS8A, LYS8B, PHE102A, PHE102B, PHE247B, PHE261B, PHE56B, PHE72A, PHE72B, PHE98A, PHE98B, PRO60A, PRO60B, PRO66A, PRO66B, PRO69A, PRO69B, PRO6A, PRO6B, SER100A, SER100B, SER104A, SER104B, SER59A, SER59B, SER99A, SER99B, THR269A, THR269B, TYR114A, TYR114B, TYR266A, TYR266B, TYR67A, TYR67B, VAL193A, VAL193B, VAL194A, VAL194B, VAL211A, VAL211B, VAL270A, VAL270B
• A-C: ARG232A, ARG232C, ARG236A, ARG236C, ARG302A, ARG38C, ARG45C, ARG83C, ARG87A, ARG87C, ASN262A, ASN303A, ASN41C, ASP260A, ASP260C, GLN233A, GLN233C, GLN263A, GLN34C, GLU229A, GLU298A, GLU299A, GLU35C, GLU88C, GLU91C, GLY184C, GLY204A, GLY89C, ILE230A, ILE258A, LYS177C, LYS181C, LYS234A, LYS234C, LYS295A, LYS31C, LYS42C, LYS86A, LYS86C, PHE259A, PHE261A, PHE37C, PRO206A, SER305A, THR301A, TRP304A, TYR205A, TYR235A, TYR235C, VAL155C, VAL228A, VAL291A, VAL39C
• B-C: ARG232C, LYS11B