3MDW

the structure of n-formimino-l-glutamate iminohydrolase from pseudomonas aeruginosa complexed with n-formimino-l-aspartate

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 263
  • Norm. En. per Res.: -4.5871
• 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	-177.1209	-118.3342	-891.048	-1186.503	259	36	21	32293	12	118	86
A-C	0.0	-43.3032	-19.3352	-62.6384	27	0	1	918	2	18	14
A-D	0.0	0.0	-27.6115	-27.6115	20	4	0	1357	0	6	5
B-D	-11.6914	-56.2112	-79.2206	-147.1232	64	1	1	3517	5	34	32
C-D	-177.7187	-151.9341	-876.743	-1206.3957	263	40	22	32513	13	118	87

Interface residues

• A-B: ALA111A, ALA234B, ALA273B, ALA296A, ALA296B, ALA398A, ALA398B, ALA400A, ALA400B, ALA404A, ALA404B, ALA412A, ALA412B, ALA441A, ALA441B, ALA443A, ALA443B, ALA63A, ALA63B, ALA65A, ALA65B, ALA68A, ALA68B, ALA71A, ALA71B, ARG250B, ARG332A, ARG332B, ARG339A, ARG339B, ARG341A, ARG341B, ARG343A, ARG343B, ARG345A, ARG345B, ARG347A, ARG347B, ARG350A, ARG350B, ARG358A, ARG358B, ARG408A, ARG408B, ARG416A, ARG416B, ARG419A, ARG419B, ARG433A, ARG433B, ARG442A, ARG442B, ARG62A, ARG62B, ARG82A, ARG82B, ASN297A, ASN297B, ASN346A, ASN346B, ASN393A, ASN393B, ASN407A, ASN407B, ASN73A, ASN73B, ASN75A, ASN75B, ASP300A, ASP300B, ASP342A, ASP342B, ASP351A, ASP351B, ASP394A, ASP394B, ASP403A, ASP403B, ASP415A, ASP415B, ASP431A, ASP431B, ASP76A, ASP76B, CYS291A, CYS291B, GLN103A, GLN103B, GLN236A, GLN236B, GLN237A, GLN237B, GLN338A, GLN338B, GLN353A, GLN353B, GLN417A, GLN417B, GLN446A, GLN446B, GLN61A, GLN61B, GLU107A, GLU107B, GLU235A, GLU235B, GLU295A, GLU295B, GLU329A, GLU329B, GLU330A, GLU330B, GLU335A, GLU335B, GLU401A, GLU401B, GLU437A, GLU437B, GLU438A, GLU438B, GLU450A, GLU450B, GLU69A, GLU69B, GLY299A, GLY299B, GLY301A, GLY301B, GLY337A, GLY337B, GLY357A, GLY357B, GLY392A, GLY392B, GLY413A, GLY413B, GLY414A, GLY414B, GLY449A, GLY449B, GLY66A, GLY66B, GLY72A, GLY72B, HIS272A, HIS272B, HIS322A, HIS322B, ILE100A, ILE100B, ILE302A, ILE302B, ILE356A, ILE356B, LEU104A, LEU104B, LEU292A, LEU292B, LEU298A, LEU298B, LEU325A, LEU325B, LEU334A, LEU334B, LEU340A, LEU340B, LEU348A, LEU348B, LEU360A, LEU360B, LEU397A, LEU397B, LEU405A, LEU405B, LEU406A, LEU406B, LEU410A, LEU410B, LEU448A, LEU448B, LEU451A, LEU451B, LEU67A, LEU67B, LEU84A, LEU84B, LYS110A, LYS238A, LYS344A, LYS344B, MET355A, MET355B, MET64A, MET64B, MET88B, PHE303A, PHE303B, PHE411A, PHE411B, PHE444A, PHE444B, PHE78A, PHE78B, PRO304A, PRO304B, PRO354A, PRO354B, PRO395A, PRO395B, PRO74A, PRO74B, SER293A, SER293B, SER321A, SER321B, SER324A, SER324B, SER326A, SER326B, SER399A, SER399B, SER440A, SER440B, SER77A, SER77B, THR271A, THR271B, THR294A, THR294B, THR306A, THR359A, THR359B, THR80A, THR80B, TRP333A, TRP333B, TRP409A, TRP409B, TRP79A, TRP79B, TRP81A, TRP81B, TYR336A, TYR336B, TYR349A, TYR349B, TYR396A, TYR396B, VAL240B, VAL323A, VAL323B, VAL328A, VAL328B, VAL445A, VAL445B, VAL447A, VAL447B, VAL70A, VAL70B
• A-C: ALA245A, ALA435C, ARG430C, ARG433C, ARG439C, ARG442C, ASP241A, ASP242A, ASP431C, CYS243A, GLN167A, GLN237A, GLN244A, GLU239A, GLU437C, GLU438C, GLY165A, GLY248A, GLY436C, HIS434C, LYS238A, PHE164A, PRO168A, SER247A, TRP246A, TRP427C, VAL240A
• A-D: ALA435D, ARG430D, ARG433D, ARG439D, ASN73A, ASN75A, ASP420D, ASP431D, GLU42D, GLU437D, GLY432D, GLY436D, GLY72A, HIS434D, PRO74A, SER77A, THR80A, TRP427D, VAL428D, VAL429D
• B-D: ALA147D, ALA273B, ALA276B, ALA279B, ALA280B, ALA282B, ALA305B, ALA310B, ALA435D, ALA441D, ALA443D, ARG140D, ARG143D, ARG250B, ARG283B, ARG341B, ARG347B, ARG350B, ARG426D, ARG433D, ARG439D, ARG442D, ASP133D, ASP274B, ASP307B, ASP342B, ASP351B, ASP352B, CYS102D, GLN253B, GLN311B, GLN446D, GLN96D, GLU136D, GLU277B, GLU437D, GLU438D, GLU450D, GLU95D, GLU98D, GLY149D, GLY312B, GLY436D, HIS434D, LEU139D, LEU309B, LEU348B, LYS344B, PHE308B, PHE444D, PRO275B, PRO304B, PRO94D, SER146D, SER284B, SER440D, THR306B, TRP427D, TYR349B, VAL278B, VAL428D, VAL445D, VAL447D, VAL99D
• C-D: ALA111C, ALA111D, ALA273C, ALA273D, ALA296C, ALA296D, ALA398C, ALA398D, ALA400C, ALA400D, ALA404C, ALA404D, ALA412C, ALA412D, ALA441C, ALA441D, ALA443C, ALA443D, ALA63C, ALA63D, ALA65C, ALA65D, ALA68C, ALA68D, ALA71C, ALA71D, ARG250C, ARG332C, ARG332D, ARG339C, ARG339D, ARG341C, ARG341D, ARG343C, ARG343D, ARG345C, ARG345D, ARG347C, ARG347D, ARG350C, ARG350D, ARG358C, ARG358D, ARG408C, ARG408D, ARG416C, ARG416D, ARG419C, ARG419D, ARG433D, ARG442C, ARG442D, ARG62C, ARG62D, ARG82C, ARG82D, ASN297C, ASN297D, ASN346C, ASN346D, ASN393C, ASN393D, ASN407C, ASN407D, ASN73C, ASN73D, ASN75C, ASN75D, ASP300C, ASP300D, ASP342C, ASP342D, ASP351C, ASP394C, ASP394D, ASP403C, ASP403D, ASP415C, ASP415D, ASP431C, ASP431D, ASP76C, ASP76D, CYS291C, CYS291D, GLN103C, GLN103D, GLN236C, GLN236D, GLN237C, GLN237D, GLN338C, GLN338D, GLN353C, GLN353D, GLN417C, GLN417D, GLN446C, GLN446D, GLN61C, GLN61D, GLU107C, GLU107D, GLU235C, GLU235D, GLU295C, GLU295D, GLU329C, GLU329D, GLU330C, GLU330D, GLU335C, GLU335D, GLU401C, GLU401D, GLU437C, GLU437D, GLU438C, GLU438D, GLU450C, GLU450D, GLU69C, GLU69D, GLY299C, GLY299D, GLY301C, GLY301D, GLY337C, GLY337D, GLY357C, GLY357D, GLY392C, GLY392D, GLY413C, GLY413D, GLY414C, GLY414D, GLY432D, GLY449C, GLY449D, GLY66C, GLY66D, GLY72C, GLY72D, HIS272C, HIS272D, HIS322C, HIS322D, ILE100C, ILE100D, ILE302C, ILE302D, ILE356C, ILE356D, LEU104C, LEU104D, LEU292C, LEU292D, LEU298C, LEU298D, LEU325C, LEU325D, LEU334C, LEU334D, LEU340C, LEU340D, LEU348C, LEU348D, LEU360C, LEU360D, LEU397C, LEU397D, LEU405C, LEU405D, LEU406C, LEU406D, LEU410C, LEU410D, LEU448C, LEU448D, LEU451C, LEU451D, LEU67C, LEU67D, LEU84C, LEU84D, LYS110C, LYS110D, LYS238C, LYS238D, LYS344C, LYS344D, MET355C, MET355D, MET64C, MET64D, MET88C, MET88D, PHE303C, PHE303D, PHE411C, PHE411D, PHE444C, PHE444D, PHE78C, PHE78D, PRO304C, PRO354C, PRO354D, PRO395C, PRO395D, PRO74C, PRO74D, SER293C, SER293D, SER321C, SER321D, SER324C, SER324D, SER326C, SER326D, SER399C, SER399D, SER440C, SER440D, SER77C, SER77D, THR271C, THR271D, THR294C, THR294D, THR359C, THR359D, THR80C, THR80D, TRP333C, TRP333D, TRP409C, TRP409D, TRP79C, TRP79D, TRP81C, TRP81D, TYR336C, TYR336D, TYR349C, TYR349D, TYR396C, TYR396D, VAL240C, VAL240D, VAL323C, VAL323D, VAL328C, VAL328D, VAL418D, VAL429D, VAL445C, VAL445D, VAL447C, VAL447D, VAL70C, VAL70D