2VR3

structural and biochemical characterization of fibrinogen binding to clfa from staphylocccus aureus

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 88
  • Norm. En. per Res.: -5.8461
• Hub Node: A(3)

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	-11.7921	9.8232	-85.77	-87.7389	86	7	0	3751	0	16	14
A-C	-175.8973	-10.5355	-317.756	-504.1888	89	29	9	10225	1	8	10
A-D	0.0	0.0	-0.1263	-0.1263	4	0	0	37	0	2	1
B-C	0.0	0.0	-0.5114	-0.5114	17	0	0	145	0	1	1
B-D	-179.1213	0.0	-335.333	-514.4543	88	26	9	10211	0	8	9

Interface residues

• A-B: ALA254A, ALA299A, ALA331B, ALA504A, ALA528A, ARG506A, ARG519B, ASN238B, ASN260B, ASN349B, ASN419A, ASN515B, ASN530A, ASN531A, ASP244A, ASP244B, ASP368B, ASP421A, ASP502A, ASP524A, ASP537A, ASP540A, GLU370B, GLU526A, GLY242B, GLY246B, GLY262B, GLY501A, GLY532A, GLY534A, GLY534B, GLY536B, GLY538A, ILE243B, ILE539A, LEU236B, LEU333B, LEU366B, LYS258A, LYS258B, LYS326A, LYS330B, LYS363B, LYS371B, LYS374B, LYS417A, LYS500A, MET298A, MET335A, PHE263B, PHE375B, PHE529A, PRO295A, PRO336A, PRO418A, PRO545A, SER245B, SER264B, SER422A, SER533A, SER533B, SER535A, SER535B, THR237B, THR240B, THR247B, THR248B, THR332A, THR332B, THR334A, THR334B, THR359B, THR364B, THR420A, TYR250B, TYR256A, TYR261B, TYR338A, TYR376B, VAL239B, VAL241B, VAL249B, VAL265B, VAL329B, VAL365B, VAL543A
• A-C: ALA254A, ALA292A, ALA337A, ALA405C, ALA408C, ALA410C, ALA504A, ALA528A, ARG395A, ARG506A, ARG519A, ASN284A, ASN286A, ASN525A, ASN530A, ASN531A, ASP385A, ASP502A, ASP524A, GLN253A, GLN386A, GLN396A, GLN407C, GLU370A, GLU526A, GLY255A, GLY287A, GLY373A, GLY382A, GLY403C, GLY404C, GLY409C, GLY532A, HIS252A, HIS400C, HIS401C, ILE309A, ILE339A, ILE380A, ILE384A, ILE387A, ILE517A, LEU285A, LEU378A, LEU402C, LEU503A, LEU505A, LEU509A, LYS293A, LYS371A, LYS374A, LYS381A, LYS389A, LYS406C, LYS417A, MET521A, PHE375A, PHE529A, PRO251A, PRO295A, PRO336A, PRO341A, PRO418A, SER290A, SER447A, SER507A, SER520A, SER522A, THR289A, THR291A, THR383A, THR397A, THR420A, THR508A, TRP518A, TRP523A, TYR250A, TYR256A, TYR338A, TYR369A, TYR372A, TYR376A, TYR448A, TYR510A, VAL257A, VAL288A, VAL294A, VAL411C, VAL527A
• A-D: ASP540A, GLN399D, HIS401D, LYS326A
• B-C: ALA361B, ALA410C, ASN238B, ASN362B, ASP244B, GLY242B, GLY246B, GLY409C, ILE243B, LEU402C, LYS363B, LYS406C, SER245B, THR240B, THR247B, VAL241B, VAL411C
• B-D: ALA254B, ALA292B, ALA337B, ALA405D, ALA408D, ALA410D, ALA504B, ALA528B, ARG395B, ARG506B, ARG519B, ASN284B, ASN286B, ASN525B, ASN530B, ASN531B, ASP385B, ASP524B, GLN253B, GLN386B, GLN396B, GLN399D, GLN407D, GLU370B, GLU526B, GLY255B, GLY287B, GLY373B, GLY382B, GLY403D, GLY404D, GLY409D, GLY511B, GLY532B, HIS252B, HIS400D, HIS401D, ILE309B, ILE339B, ILE380B, ILE384B, ILE387B, ILE517B, LEU285B, LEU378B, LEU402D, LEU503B, LEU505B, LEU509B, LYS293B, LYS371B, LYS374B, LYS381B, LYS389B, LYS406D, LYS417B, MET521B, PHE375B, PHE529B, PRO251B, PRO336B, PRO341B, PRO418B, SER290B, SER447B, SER507B, SER520B, SER522B, THR289B, THR291B, THR383B, THR397B, THR508B, TRP518B, TRP523B, TYR250B, TYR256B, TYR338B, TYR369B, TYR372B, TYR376B, TYR448B, TYR510B, VAL257B, VAL288B, VAL294B, VAL411D, VAL527B