2BWP

5-aminolevulinate synthase from rhodobacter capsulatus in complex with glycine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 374
  • Norm. En. per Res.: -4.4668
• 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	-243.6958	-208.0598	-1168.62	-1620.3755	379	63	32	46561	22	62	66
A-D	0.0	0.0	-0.9603	-0.9603	8	0	1	109	0	0	0
A-E	-5.4366	-21.3899	-5.9609	-32.7874	34	0	0	576	2	19	18
B-D	-20.8205	-5.8166	-55.1091	-81.7461	61	8	0	3086	3	28	39
B-E	0.0	0.0	-0.4861	-0.4861	7	0	1	74	0	0	0
D-E	-247.6617	-209.9989	-1212.93	-1670.5906	374	50	32	47083	22	62	66

Interface residues

• A-B: ALA10A, ALA10B, ALA115A, ALA115B, ALA118B, ALA121A, ALA121B, ALA143A, ALA143B, ALA153A, ALA153B, ALA177A, ALA177B, ALA178A, ALA178B, ALA204A, ALA204B, ALA209A, ALA209B, ALA247A, ALA247B, ALA249A, ALA249B, ALA259A, ALA259B, ALA261A, ALA261B, ALA266A, ALA266B, ALA271A, ALA271B, ALA283A, ALA283B, ALA285A, ALA285B, ALA288A, ALA288B, ALA32A, ALA32B, ALA36A, ALA36B, ALA67A, ALA67B, ALA68A, ALA68B, ALA6A, ALA6B, ALA72A, ALA72B, ALA75A, ALA75B, ALA78A, ALA78B, ALA91A, ALA91B, ARG151A, ARG151B, ARG19A, ARG19B, ARG21A, ARG21B, ARG262A, ARG262B, ARG268A, ARG268B, ARG28A, ARG28B, ARG368A, ARG374A, ARG374B, ARG40A, ARG40B, ARG84A, ARG84B, ARG94A, ARG94B, ARG95A, ARG95B, ASN117A, ASN117B, ASN152A, ASN152B, ASN362A, ASN362B, ASN39A, ASN39B, ASN4A, ASN4B, ASN54A, ASN54B, ASN85A, ASN85B, ASP120A, ASP120B, ASP175A, ASP175B, ASP240A, ASP240B, ASP25A, ASP25B, ASP265A, ASP265B, ASP2A, ASP2B, ASP55A, ASP55B, ASP8A, ASP8B, CYS52A, CYS52B, GLN12A, GLN12B, GLN359A, GLN359B, GLN37A, GLN37B, GLN61A, GLN61B, GLU147A, GLU147B, GLU17A, GLU17B, GLU206B, GLU27A, GLU27B, GLU29A, GLU29B, GLU71A, GLU71B, GLU74A, GLU74B, GLU97A, GLU97B, GLY148A, GLY148B, GLY208A, GLY208B, GLY251A, GLY251B, GLY254A, GLY254B, GLY273A, GLY273B, GLY287A, GLY287B, GLY31A, GLY31B, GLY43A, GLY43B, GLY53A, GLY53B, GLY60A, GLY60B, GLY77A, GLY77B, GLY79A, GLY79B, GLY81A, GLY81B, GLY82A, GLY82B, GLY88A, GLY88B, HIS142A, HIS142B, HIS15A, HIS15B, HIS217A, HIS217B, HIS62A, HIS62B, HIS70A, HIS70B, HIS93A, HIS93B, ILE11A, ILE11B, ILE134A, ILE134B, ILE146A, ILE146B, ILE149A, ILE149B, ILE171A, ILE171B, ILE182B, ILE241A, ILE241B, ILE24A, ILE24B, ILE26A, ILE26B, ILE275A, ILE275B, ILE284A, ILE284B, ILE361A, ILE361B, ILE48A, ILE48B, ILE86A, ILE86B, LEU110A, LEU110B, LEU126A, LEU126B, LEU129A, LEU129B, LEU133A, LEU133B, LEU14A, LEU14B, LEU181A, LEU181B, LEU210A, LEU210B, LEU246A, LEU246B, LEU280A, LEU280B, LEU5A, LEU5B, LEU66A, LEU66B, LEU73A, LEU73B, LEU7A, LEU7B, LYS13A, LYS13B, LYS150A, LYS150B, LYS156B, LYS180A, LYS180B, LYS248A, LYS248B, LYS30A, LYS30B, LYS35A, LYS45A, LYS45B, LYS9A, LYS9B, MET145A, MET145B, MET190A, MET190B, MET1A, MET1B, MET263A, MET263B, MET59A, MET59B, MET69A, MET69B, PHE112A, PHE112B, PHE130A, PHE130B, PHE207A, PHE207B, PHE23A, PHE23B, PHE253A, PHE253B, PHE274A, PHE274B, PHE276A, PHE276B, PHE33A, PHE33B, PHE363A, PHE363B, PRO131A, PRO131B, PRO176A, PRO176B, PRO179A, PRO179B, PRO272A, PRO272B, PRO281A, PRO281B, PRO282A, PRO282B, PRO360A, PRO360B, PRO364A, PRO364B, PRO41A, PRO41B, PRO63A, PRO63B, SER113A, SER113B, SER114A, SER114B, SER124A, SER124B, SER144A, SER144B, SER189A, SER189B, SER260A, SER260B, SER269A, SER269B, SER277A, SER277B, SER279A, SER279B, SER291A, SER291B, SER347B, SER80A, SER80B, SER87A, SER87B, THR125A, THR125B, THR211B, THR22A, THR22B, THR245A, THR245B, THR278A, THR278B, THR365A, THR365B, THR376A, THR376B, THR83A, THR83B, THR89A, THR89B, THR90A, THR90B, TRP38A, TRP38B, TRP51A, TRP51B, TYR116A, TYR116B, TYR136B, TYR20A, TYR20B, TYR250A, TYR250B, TYR270A, TYR270B, TYR357A, TYR357B, TYR3A, TYR3B, TYR56A, TYR56B, TYR92A, TYR92B, VAL128A, VAL128B, VAL216A, VAL216B, VAL252A, VAL252B, VAL264A, VAL264B, VAL267A, VAL267B, VAL358A, VAL358B, VAL366A, VAL366B, VAL50A, VAL50B, VAL65A, VAL65B, VAL76A, VAL76B
• A-D: ALA153A, ALA153D, GLY132D, GLY154A, GLY154D, PRO131A, PRO131D, PRO155A
• A-E: ALA153A, ALA153E, ALA173A, ALA173E, ALA177A, ALA177E, ARG157A, ARG157E, ARG160A, ARG160E, ARG368A, ARG368E, ASP175A, ASP175E, GLU169A, GLU169E, GLY154E, HIS166A, HIS166E, ILE158A, ILE158E, LEU170A, LEU170E, LYS13A, LYS13E, LYS156A, LYS156E, PHE363A, PHE363E, PRO155A, PRO155E, PRO176A, PRO176E, SER139E
• B-D: ALA172B, ALA172D, ALA173B, ALA173D, ALA177B, ALA177D, ALA178B, ALA178D, ARG157B, ARG157D, ARG160B, ARG160D, ARG19B, ARG19D, ARG368B, ARG368D, ASP163B, ASP163D, ASP16B, ASP16D, ASP174B, ASP174D, ASP175B, ASP175D, GLU169B, GLU169D, GLU17B, GLU17D, GLY132B, GLY369B, GLY369D, HIS161B, HIS161D, HIS166B, HIS166D, ILE134B, ILE134D, ILE158B, ILE158D, ILE171B, ILE171D, LEU170B, LEU170D, LYS13B, LYS13D, LYS150D, LYS156B, LYS156D, LYS180D, PHE159B, PHE363B, PHE363D, PRO176B, PRO176D, PRO179B, PRO179D, PRO367B, PRO367D, SER139B, SER139D, THR370D
• B-E: ALA153B, ALA153E, GLY132B, GLY154B, GLY154E, PRO131B, PRO131E
• D-E: ALA10D, ALA10E, ALA115D, ALA115E, ALA118D, ALA121D, ALA121E, ALA143D, ALA143E, ALA153D, ALA153E, ALA177D, ALA177E, ALA178D, ALA178E, ALA204D, ALA204E, ALA209D, ALA209E, ALA247D, ALA247E, ALA249D, ALA249E, ALA259D, ALA259E, ALA261D, ALA261E, ALA266D, ALA266E, ALA271D, ALA271E, ALA283D, ALA283E, ALA285D, ALA285E, ALA288D, ALA288E, ALA32D, ALA32E, ALA36D, ALA36E, ALA67D, ALA67E, ALA68D, ALA68E, ALA6D, ALA6E, ALA72D, ALA72E, ALA75D, ALA75E, ALA78D, ALA78E, ALA91D, ALA91E, ARG151D, ARG151E, ARG19D, ARG19E, ARG21D, ARG21E, ARG262D, ARG262E, ARG268D, ARG268E, ARG28D, ARG28E, ARG368D, ARG368E, ARG374D, ARG374E, ARG40D, ARG40E, ARG84D, ARG84E, ARG94D, ARG94E, ARG95D, ARG95E, ASN117D, ASN117E, ASN152D, ASN152E, ASN362D, ASN362E, ASN39D, ASN39E, ASN4D, ASN4E, ASN54D, ASN54E, ASN85D, ASN85E, ASP120D, ASP120E, ASP240D, ASP240E, ASP25D, ASP25E, ASP265D, ASP265E, ASP2D, ASP2E, ASP55D, ASP55E, ASP8D, ASP8E, CYS52D, CYS52E, GLN12D, GLN12E, GLN359D, GLN359E, GLN37D, GLN37E, GLN61D, GLN61E, GLU147D, GLU147E, GLU17D, GLU17E, GLU205D, GLU27D, GLU27E, GLU29D, GLU29E, GLU71D, GLU71E, GLU74D, GLU74E, GLU97D, GLU97E, GLY132E, GLY148D, GLY148E, GLY208D, GLY208E, GLY251D, GLY251E, GLY254D, GLY254E, GLY273D, GLY273E, GLY287D, GLY287E, GLY31D, GLY31E, GLY43E, GLY53D, GLY53E, GLY60D, GLY60E, GLY77D, GLY77E, GLY79D, GLY79E, GLY81D, GLY81E, GLY82D, GLY82E, GLY88D, GLY88E, HIS142D, HIS142E, HIS15D, HIS15E, HIS217D, HIS217E, HIS62D, HIS62E, HIS70D, HIS70E, HIS93D, HIS93E, ILE11D, ILE11E, ILE134D, ILE134E, ILE146D, ILE146E, ILE149D, ILE149E, ILE171D, ILE182D, ILE241D, ILE241E, ILE24D, ILE24E, ILE26D, ILE26E, ILE275D, ILE275E, ILE284D, ILE284E, ILE361D, ILE361E, ILE48D, ILE48E, ILE86D, ILE86E, LEU110D, LEU110E, LEU126D, LEU126E, LEU129D, LEU129E, LEU133D, LEU133E, LEU14D, LEU14E, LEU181D, LEU181E, LEU210D, LEU210E, LEU246D, LEU246E, LEU280D, LEU280E, LEU5D, LEU5E, LEU66D, LEU66E, LEU73D, LEU73E, LEU7D, LEU7E, LYS13D, LYS13E, LYS150D, LYS150E, LYS156D, LYS180D, LYS180E, LYS248D, LYS248E, LYS30D, LYS30E, LYS35E, LYS45D, LYS45E, LYS9D, LYS9E, MET145D, MET145E, MET190D, MET190E, MET1D, MET1E, MET263D, MET263E, MET59D, MET59E, MET69D, MET69E, PHE112D, PHE112E, PHE130D, PHE130E, PHE207D, PHE207E, PHE23D, PHE23E, PHE253D, PHE253E, PHE274D, PHE274E, PHE276D, PHE276E, PHE33D, PHE33E, PHE363D, PHE363E, PRO131D, PRO131E, PRO176E, PRO179D, PRO179E, PRO272D, PRO272E, PRO281D, PRO281E, PRO282D, PRO282E, PRO360D, PRO360E, PRO364D, PRO364E, PRO41D, PRO41E, PRO63D, PRO63E, SER113D, SER113E, SER114D, SER114E, SER124D, SER124E, SER144D, SER144E, SER189D, SER189E, SER260D, SER260E, SER269D, SER269E, SER277D, SER277E, SER279D, SER279E, SER291D, SER291E, SER80D, SER80E, SER87D, SER87E, THR125D, THR125E, THR22D, THR22E, THR245D, THR245E, THR278D, THR278E, THR365D, THR365E, THR376D, THR376E, THR83D, THR83E, THR89D, THR89E, THR90D, THR90E, TRP38D, TRP38E, TRP51D, TRP51E, TYR116D, TYR116E, TYR136D, TYR20D, TYR20E, TYR250D, TYR250E, TYR270D, TYR270E, TYR357D, TYR357E, TYR3D, TYR3E, TYR56D, TYR56E, TYR92D, TYR92E, VAL128D, VAL128E, VAL216D, VAL216E, VAL252D, VAL252E, VAL264D, VAL264E, VAL267D, VAL267E, VAL358D, VAL358E, VAL366D, VAL366E, VAL50D, VAL50E, VAL65D, VAL65E, VAL76D, VAL76E