3SMA

a new n-acetyltransferase fold in the structure and mechanism of the phosphonate biosynthetic enzyme frbf

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 69
  • Norm. En. per Res.: -3.1505
• 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	-62.5324	24.8294	-409.395	-447.0981	148	16	6	17022	7	43	29
A-C	-9.9235	-4.7666	-74.9669	-89.657	42	7	0	3195	0	17	14
A-D	-27.7657	-35.6407	-153.976	-217.3824	69	10	1	5749	7	50	55
B-C	0.0	3.7599	-0.4638	3.2961	10	0	0	77	0	4	3

Interface residues

• A-B: ALA122A, ALA122B, ALA124A, ALA130A, ALA130B, ALA131A, ALA131B, ALA133A, ALA133B, ALA58A, ALA58B, ALA60A, ALA60B, ALA64A, ALA64B, ARG104A, ARG104B, ARG118A, ARG118B, ARG128A, ARG128B, ARG129A, ARG129B, ARG135A, ARG135B, ARG16B, ARG19A, ARG19B, ARG218A, ARG218B, ARG24A, ARG24B, ARG26A, ARG26B, ARG92A, ASP111A, ASP111B, ASP113A, ASP113B, ASP15B, ASP18B, ASP217A, ASP217B, ASP25A, ASP25B, ASP67A, ASP67B, ASP83A, ASP83B, ASP98A, ASP98B, CYS126A, CYS126B, CYS55A, CYS55B, GLN106A, GLN106B, GLN17B, GLN59A, GLN59B, GLN66A, GLN66B, GLU105A, GLU105B, GLU125A, GLU125B, GLU20A, GLU20B, GLU255B, GLY132A, GLY132B, GLY216A, GLY216B, GLY52A, GLY52B, GLY56A, GLY56B, GLY57A, GLY57B, ILE103A, ILE103B, LEU114A, LEU114B, LEU21A, LEU21B, LEU48A, LEU48B, LEU63A, LEU63B, LEU84A, LEU84B, MET107A, MET107B, PHE110A, PHE110B, PHE127A, PHE127B, PRO101A, PRO101B, PRO108A, PRO108B, PRO109A, PRO109B, PRO112A, PRO112B, PRO116A, PRO116B, PRO14B, PRO87A, PRO87B, PRO93A, PRO93B, PRO94A, PRO96A, PRO96B, SER81A, SER81B, THR115A, THR115B, THR117A, THR117B, THR23A, THR23B, TRP100A, TRP100B, TRP146A, TRP146B, TRP53A, TRP53B, TRP90A, TRP90B, TRP99A, TRP99B, VAL102A, VAL102B, VAL123A, VAL123B, VAL219B, VAL22A, VAL22B, VAL54A, VAL54B, VAL61A, VAL61B, VAL62A, VAL62B, VAL95A, VAL95B
• A-C: ALA276C, ALA28A, ALA32A, ALA33A, ALA68A, ARG244C, ARG24A, ARG250C, ARG26A, ARG37A, ASP25A, ASP30A, ASP67A, CYS241C, GLN178A, GLN235C, GLU239C, GLY238C, GLY247A, GLY247C, GLY35A, HIS248C, HIS277C, LEU242C, LEU260A, LEU269C, LEU27A, LEU31A, LEU34A, MET237C, PRO246C, PRO38A, SER240C, SER249A, SER29A, THR236C, THR23A, THR243C, THR245C, THR252A, TRP273C, VAL36A
• A-D: ALA195A, ALA200A, ALA200D, ALA265A, ALA276A, ALA281D, ARG104D, ARG165A, ARG174A, ARG198A, ARG204A, ARG204D, ARG205A, ARG205D, ARG208A, ARG208D, ARG209A, ARG209D, ARG210D, ARG244A, ARG264A, ARG278D, ARG282D, ASP226A, ASP226D, ASP268A, ASP279D, ASP86D, CYS271A, GLN224A, GLN224D, GLU161A, GLU170A, GLU196A, GLU223D, GLU225A, GLU225D, GLU272A, GLU97D, GLY203A, GLY203D, HIS207A, HIS207D, HIS277A, ILE227A, ILE227D, LEU194A, LEU269A, LEU280D, PRO202D, PRO87D, SER206A, SER206D, SER240A, SER88D, THR160A, THR199A, THR275A, THR89D, TRP100D, TRP273A, TYR173A, TYR197A, TYR201A, TYR201D, TYR229D, VAL228A, VAL228D, VAL267A
• B-C: ALA276C, ARG218B, ASP279C, GLN106B, GLU105B, HIS277C, PRO101B, PRO202C, THR275C, VAL102B