3NFD

mycobacterium tuberculosis acyl carrier protein synthase adopts two different structural conformations: ph driven conformational changes of acps enzyme

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 91
  • Norm. En. per Res.: -3.7076
• 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	-61.8517	-14.6884	-277.03	-353.5701	99	10	9	9903	0	23	21
A-C	-61.6279	7.9206	-266.377	-320.0843	92	22	9	9719	0	18	19
B-C	-54.266	-3.5972	-268.993	-326.8562	93	16	9	9734	1	21	21
D-E	-51.6719	3.6748	-263.711	-311.7081	96	19	9	9725	0	22	22
D-F	-66.3235	-6.1217	-264.947	-337.3922	91	24	9	9729	1	20	20
E-F	-51.6934	3.9089	-269.528	-317.3125	92	25	9	9818	2	21	20

Interface residues

• A-B: ALA112A, ALA133A, ALA143A, ALA143B, ALA145A, ALA145B, ALA71A, ALA71B, ALA75B, ALA79B, ALA7B, ALA83B, ARG107A, ARG110A, ARG150A, ARG150B, ARG153B, ARG5B, ARG69A, ASP106A, ASP129A, ASP139A, ASP13A, ASP13B, ASP141A, ASP141B, CB9.3664321.67307, CB9.43772-49.47349, CYS147A, CYS147B, GLN114A, GLN152A, GLN152B, GLN82B, GLU131A, GLU6A, GLU6A5, GLU6B, GLU74B, GLU92B, GLY109A, GLY11A, GLY11B, GLY140A, GLY19B, GLY86B, HIS138A, HIS16A, HIS16B, ILE136A, ILE17A, ILE17B, ILE77B, ILE84B, ILE91B, LEU104A, LEU113A, LEU132A, LEU134A, LEU146A, LEU146B, LEU148A, LEU148B, LEU149B, LEU14A, LEU14B, LYS78B, LYS87B, PHE20B, PRO105A, PRO18A, PRO18B, PRO88B, PRO89B, PRO93B, SER135A, SER137A, SER81B, THR144A, THR144B, THR9B, TRP108A, TRP70B, TRP80B, TYR142A, TYR142B, TYR151A, TYR151B, TYR85B, VAL103A, VAL10A, VAL10B, VAL111A, VAL12A, VAL12B, VAL130A, VAL15A, VAL15B, VAL90B
• A-C: ALA112C, ALA133C, ALA143A, ALA143C, ALA145A, ALA145C, ALA71A, ALA71C, ALA75A, ALA79A, ALA7A, ALA83A, ARG107C, ARG110C, ARG150A, ARG150C, ARG153A, ARG69C, ASP106C, ASP139C, ASP13A, ASP13C, ASP141A, ASP141C, CB9.3877021.77986, CYS147A, CYS147C, GLN114C, GLN23A, GLN82A, GLU131C, GLU6A, GLU6A5, GLU6C, GLU74A, GLY109C, GLY11A, GLY11C, GLY140C, GLY19A, GLY86A, HIS138C, HIS16A, HIS16C, ILE136C, ILE17A, ILE17C, ILE77A, ILE84A, ILE91A, LEU104C, LEU113C, LEU132C, LEU134C, LEU146A, LEU146C, LEU148A, LEU148C, LEU149A, LEU14A, LEU14C, LYS78A, LYS87A, PHE20A, PRO105C, PRO18A, PRO18C, PRO88A, PRO89A, PRO93A, SER135C, SER137C, SER81A, THR144A, THR144C, THR9A, TRP108C, TRP70A, TRP80A, TYR142A, TYR142C, TYR151A, TYR85A, VAL103C, VAL10A, VAL10C, VAL111C, VAL12A, VAL12C, VAL15A, VAL15C, VAL90A
• B-C: ALA112B, ALA133B, ALA143B, ALA143C, ALA145B, ALA145C, ALA71B, ALA71C, ALA75C, ALA79C, ALA7C, ALA83C, ARG107B, ARG110B, ARG150B, ARG150C, ARG153C, ARG69B, ASP106B, ASP139B, ASP13B, ASP13C, ASP141B, ASP141C, CYS147B, CYS147C, GLN114B, GLN152C, GLN23C, GLN82C, GLU131B, GLU6B, GLU6C, GLU74C, GLU92C, GLY109B, GLY11B, GLY11C, GLY140B, GLY19C, GLY86C, HIS138B, HIS16B, HIS16C, ILE136B, ILE17B, ILE17C, ILE77C, ILE84C, ILE91C, LEU104B, LEU113B, LEU132B, LEU134B, LEU146B, LEU146C, LEU148B, LEU148C, LEU149B, LEU149C, LEU14B, LEU14C, LYS78C, LYS87C, PHE20C, PRO105B, PRO18B, PRO18C, PRO88C, PRO89C, PRO93C, SER135B, SER137B, SER81C, THR144B, THR144C, THR9C, TRP108B, TRP70C, TRP80C, TYR142B, TYR142C, TYR151C, TYR85C, VAL103B, VAL10B, VAL10C, VAL111B, VAL12B, VAL12C, VAL15B, VAL15C, VAL90C
• D-E: ALA112D, ALA133D, ALA143D, ALA143E, ALA145D, ALA145E, ALA71D, ALA71E, ALA75E, ALA79E, ALA7E, ALA83E, ARG107D, ARG110D, ARG150D, ARG150E, ARG153E, ARG5E, ARG69D, ASN4E, ASP106D, ASP139D, ASP13D, ASP13E, ASP141D, ASP141E, CYS147D, CYS147E, GLN114D, GLN152D, GLN152E, GLN23E, GLN82E, GLU131D, GLU6D, GLU6E, GLU74E, GLU92E, GLY109D, GLY11D, GLY11E, GLY140D, GLY19E, GLY86E, HIS138D, HIS16D, HIS16E, ILE136D, ILE17D, ILE17E, ILE77E, ILE84E, ILE91E, LEU104D, LEU113D, LEU132D, LEU134D, LEU146D, LEU146E, LEU148D, LEU148E, LEU149D, LEU149E, LEU14D, LEU14E, LYS78E, LYS87E, PHE20E, PRO105D, PRO18D, PRO18E, PRO88E, PRO89E, PRO93E, SER135D, SER137D, SER81E, THR144D, THR144E, THR9E, TRP108D, TRP70E, TRP80E, TYR142D, TYR142E, TYR151E, TYR85E, VAL103D, VAL10D, VAL10E, VAL111D, VAL12D, VAL12E, VAL15D, VAL15E, VAL90E
• D-F: ALA112F, ALA133F, ALA143D, ALA143F, ALA145D, ALA145F, ALA71D, ALA71F, ALA75D, ALA79D, ALA7D, ALA83D, ARG107F, ARG110F, ARG150D, ARG150F, ARG153D, ARG69F, ASP106F, ASP139F, ASP13D, ASP13F, ASP141D, ASP141F, CYS147D, CYS147F, GLN114F, GLN23D, GLN82D, GLU131F, GLU6D, GLU6F, GLU74D, GLU92D, GLY109F, GLY11D, GLY11F, GLY140F, GLY19D, GLY86D, HIS138F, HIS16D, HIS16F, ILE136F, ILE17D, ILE17F, ILE77D, ILE84D, ILE91D, LEU104F, LEU113F, LEU132F, LEU134F, LEU146D, LEU146F, LEU148D, LEU148F, LEU149D, LEU14D, LEU14F, LYS78D, LYS87D, PHE20D, PRO105F, PRO18D, PRO18F, PRO88D, PRO89D, PRO93D, SER135F, SER137F, SER81D, THR144D, THR144F, THR9D, TRP108F, TRP70D, TRP80D, TYR142D, TYR142F, TYR151D, TYR85D, VAL103F, VAL10D, VAL10F, VAL111F, VAL12D, VAL12F, VAL15D, VAL15F, VAL90D
• E-F: ALA112E, ALA133E, ALA143E, ALA143F, ALA145E, ALA145F, ALA71E, ALA71F, ALA75F, ALA79F, ALA7F, ALA83F, ARG107E, ARG110E, ARG150E, ARG150F, ARG153F, ARG69E, ASP106E, ASP139E, ASP13E, ASP13F, ASP141E, ASP141F, CYS147E, CYS147F, GLN114E, GLN23F, GLN82F, GLU131E, GLU6E, GLU6F, GLU74F, GLU92F, GLY109E, GLY11E, GLY11F, GLY140E, GLY19F, GLY86F, HIS138E, HIS16E, HIS16F, ILE136E, ILE17E, ILE17F, ILE77F, ILE84F, ILE91F, LEU104E, LEU113E, LEU132E, LEU134E, LEU146E, LEU146F, LEU148E, LEU148F, LEU149E, LEU149F, LEU14E, LEU14F, LYS78F, LYS87F, PHE20F, PRO105E, PRO18E, PRO18F, PRO88F, PRO89F, PRO93F, SER135E, SER137E, SER81F, THR144E, THR144F, THR9F, TRP108E, TRP70F, TRP80F, TYR142E, TYR142F, TYR151F, TYR85F, VAL103E, VAL10E, VAL10F, VAL111E, VAL12E, VAL12F, VAL15E, VAL15F, VAL90F