3DU4

crystal structure of 7-keto-8-aminopelargonic acid bound 7,8- diaminopelargonic acid synthase in bacillus subtilis

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 413
  • Norm. En. per Res.: -4.8506
• Hub Node: A(1)

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	-223.0134	-18.6503	-1761.62	-2003.2837	413	88	44	69549	2	118	141

Interface residues

• A-B: ALA114A, ALA114B, ALA116A, ALA116B, ALA120A, ALA124A, ALA124B, ALA153A, ALA153B, ALA212A, ALA212B, ALA254A, ALA290A, ALA290B, ALA294A, ALA294B, ALA301A, ALA301B, ALA390A, ALA390B, ALA68A, ALA68B, ALA77A, ALA77B, ALA89A, ALA89B, ALA93A, ALA93B, ARG106A, ARG106B, ARG392A, ARG392B, ARG393A, ARG393B, ARG403A, ARG403B, ARG410A, ARG410B, ARG61A, ARG61B, ASN130A, ASN130B, ASN26A, ASN26B, ASN308A, ASN308B, ASN321A, ASN321B, ASN56A, ASN56B, ASN86A, ASN86B, ASP111A, ASP111B, ASP149A, ASP149B, ASP22A, ASP22B, ASP24A, ASP24B, ASP274A, ASP274B, ASP297A, ASP297B, ASP304A, ASP304B, ASP305A, ASP305B, ASP391A, ASP391B, ASP40A, ASP40B, ASP48A, ASP48B, ASP4A, ASP4B, ASP66A, ASP66B, ASP67A, ASP67B, ASP98A, ASP98B, CYS325A, CYS325B, GLN126A, GLN126B, GLN137A, GLN137B, GLN19A, GLN19B, GLN322A, GLN322B, GLN72A, GLN72B, GLN91A, GLN91B, GLU115A, GLU115B, GLU118A, GLU118B, GLU160A, GLU160B, GLU172A, GLU172B, GLU25A, GLU25B, GLU296A, GLU296B, GLU307A, GLU307B, GLU31A, GLU31B, GLU7A, GLU7B, GLU94A, GLU94B, GLY113A, GLY113B, GLY148A, GLY148B, GLY152A, GLY152B, GLY167A, GLY167B, GLY279A, GLY279B, GLY281A, GLY281B, GLY284A, GLY284B, GLY285A, GLY285B, GLY315A, GLY315B, GLY320A, GLY320B, GLY324A, GLY324B, GLY33A, GLY33B, GLY413A, GLY413B, GLY59A, GLY59B, GLY74A, GLY74B, GLY83A, GLY83B, HIS12A, HIS12B, HIS147A, HIS147B, HIS163A, HIS163B, HIS164A, HIS164B, HIS314A, HIS314B, HIS316A, HIS316B, HIS60A, HIS60B, HIS78A, HIS78B, ILE119A, ILE119B, ILE151A, ILE151B, ILE159A, ILE159B, ILE282A, ILE282B, ILE289A, ILE289B, ILE298A, ILE298B, ILE29A, ILE29B, ILE30A, ILE30B, ILE41A, ILE41B, ILE69A, ILE69B, ILE6A, ILE6B, ILE76A, ILE76B, ILE97A, ILE97B, LEU104B, LEU121A, LEU121B, LEU13A, LEU13B, LEU15A, LEU15B, LEU161A, LEU161B, LEU169A, LEU169B, LEU275A, LEU275B, LEU287A, LEU287B, LEU28A, LEU28B, LEU309A, LEU309B, LEU323A, LEU323B, LEU329B, LEU400A, LEU400B, LEU408A, LEU408B, LEU412A, LEU412B, LEU55A, LEU55B, LEU5A, LEU5B, LEU65A, LEU65B, LEU73A, LEU73B, LEU81A, LEU81B, LEU82A, LEU82B, LEU92A, LEU92B, LEU96A, LEU96B, LYS10A, LYS10B, LYS11A, LYS11B, LYS122A, LYS122B, LYS129A, LYS129B, LYS136B, LYS138A, LYS138B, LYS21A, LYS21B, LYS280A, LYS280B, LYS300A, LYS300B, LYS310A, LYS310B, LYS37A, LYS37B, LYS39A, LYS39B, LYS62A, LYS62B, LYS63A, LYS63B, LYS70A, LYS70B, LYS71A, LYS71B, LYS75A, LYS75B, LYS8A, LYS8B, MET117A, MET117B, MET123A, MET123B, MET170A, MET170B, MET20A, MET20B, MET84A, MET84B, PHE108A, PHE108B, PHE125A, PHE125B, PHE139A, PHE139B, PHE162A, PHE162B, PHE171A, PHE171B, PHE17A, PHE17B, PHE293A, PHE293B, PHE302A, PHE302B, PHE312A, PHE312B, PHE313A, PHE313B, PHE50A, PHE50B, PRO134A, PRO134B, PRO168A, PRO168B, PRO16A, PRO16B, PRO27A, PRO27B, PRO288A, PRO288B, PRO411A, PRO411B, PRO88A, PRO88B, SER110A, SER110B, SER112A, SER112B, SER155A, SER155B, SER173B, SER317A, SER317B, SER32A, SER32B, SER51A, SER51B, SER52A, SER52B, SER79A, SER79B, SER9A, SER9B, THR105A, THR105B, THR150A, THR150B, THR18A, THR18B, THR283A, THR283B, THR292A, THR292B, THR295A, THR295B, THR2A, THR2B, THR311A, THR311B, THR319A, THR319B, THR34A, THR34B, THR409A, THR409B, THR80A, THR80B, THR85A, THR85B, THR90A, THR90B, THR95A, THR95B, TRP14A, TRP14B, TRP54A, TRP54B, TYR109A, TYR109B, TYR127A, TYR127B, TYR146A, TYR146B, TYR166A, TYR166B, TYR23A, TYR23B, TYR286A, TYR286B, TYR299A, TYR299B, TYR303A, TYR303B, TYR306A, TYR306B, TYR318A, TYR318B, TYR396A, TYR396B, TYR46A, TYR46B, VAL107A, VAL107B, VAL154A, VAL154B, VAL156B, VAL165A, VAL165B, VAL253A, VAL253B, VAL291A, VAL291B, VAL327A, VAL327B, VAL38A, VAL38B, VAL53A, VAL53B, VAL57A, VAL57B, VAL87A, VAL87B