3JZ4

crystal structure of e. coli nadp dependent enzyme

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 101
  • Norm. En. per Res.: -5.3953
• 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	-289.3784	-110.8993	-704.984	-1105.2617	248	36	26	29851	13	80	75
A-C	-49.1897	7.8559	-208.713	-250.0468	99	7	7	8881	0	35	40
A-D	-85.5024	-204.7775	-231.958	-522.238	100	12	2	8926	20	49	35
B-C	-89.2756	-212.8578	-242.792	-544.9254	101	14	2	9408	20	50	37
B-D	-37.6199	5.3429	-180.594	-212.871	99	6	7	8450	0	36	42
C-D	-254.1898	-110.3994	-697.867	-1062.4562	242	30	26	29431	12	82	75

Interface residues

• A-B: ALA245A, ALA245B, ALA414A, ALA414B, ALA415A, ALA415B, ALA419A, ALA419B, ALA431A, ALA431B, ALA449A, ALA449B, ALA456A, ALA456B, ARG138A, ARG138B, ARG226A, ARG226B, ARG238A, ARG238B, ARG427A, ARG427B, ARG461A, ARG461B, ARG64A, ARG64B, ASN407A, ASN407B, ASN440A, ASN440B, ASN446A, ASN446B, ASN57A, ASP128A, ASP128B, ASP136A, ASP136B, ASP247A, ASP247B, ASP408A, ASP408B, ASP470B, CYS244A, CYS244B, CYS478A, CYS478B, GLN134A, GLN134B, GLN144A, GLN144B, GLN239A, GLN239B, GLN243A, GLN243B, GLU235A, GLU235B, GLU242A, GLU242B, GLU254A, GLU254B, GLU410A, GLU410B, GLU430A, GLU430B, GLU433A, GLU433B, GLU447A, GLU447B, GLU462B, GLU469A, GLU469B, GLU473A, GLU473B, GLY127A, GLY127B, GLY132A, GLY132B, GLY147A, GLY147B, GLY237A, GLY237B, GLY256A, GLY256B, GLY412A, GLY412B, GLY429A, GLY429B, GLY435A, GLY435B, GLY438A, GLY438B, GLY442A, GLY442B, GLY452A, GLY452B, GLY453A, GLY453B, GLY458A, GLY458B, GLY460A, GLY460B, GLY463B, GLY467A, GLY467B, GLY480A, GLY480B, HIS133A, HIS133B, ILE130A, ILE130B, ILE140A, ILE140B, ILE142A, ILE142B, ILE146A, ILE146B, ILE236A, ILE236B, ILE248A, ILE248B, ILE403B, ILE436A, ILE436B, ILE439A, ILE439B, ILE443A, ILE443B, ILE444A, ILE444B, ILE454A, ILE454B, ILE474A, ILE474B, ILE479A, ILE479B, LEU139A, LEU139B, LEU224A, LEU224B, LEU228A, LEU240A, LEU240B, LEU253A, LEU253B, LEU255A, LEU255B, LEU413A, LEU413B, LEU422A, LEU432A, LEU432B, LEU459A, LEU459B, LEU472A, LEU472B, LEU481A, LEU481B, LEU60A, LEU60B, LYS137A, LYS137B, LYS143A, LYS143B, LYS227A, LYS227B, LYS246A, LYS246B, LYS249A, LYS249B, LYS250A, LYS250B, LYS271A, LYS271B, LYS455A, LYS455B, LYS465A, LYS465B, LYS475A, LYS475B, MET241A, MET241B, MET477A, MET477B, PHE230A, PHE230B, PHE411A, PHE411B, PHE417A, PHE417B, PHE426A, PHE426B, PHE451A, PHE451B, PRO131A, PRO131B, PRO145A, PRO145B, PRO223A, PRO223B, PRO450A, PRO450B, PRO61A, SER233A, SER233B, SER445A, SER445B, SER457A, SER457B, SER464A, SER464B, THR129A, THR129B, THR234A, THR234B, THR409A, THR409B, THR441A, THR441B, TRP117A, TRP117B, TYR110B, TYR126A, TYR126B, TYR416A, TYR416B, TYR418A, TYR418B, TYR434A, TYR434B, TYR466A, TYR466B, TYR476A, TYR476B, VAL141A, VAL141B, VAL225A, VAL251A, VAL251B, VAL289A, VAL289B, VAL425A, VAL425B, VAL428A, VAL428B, VAL437A, VAL437B, VAL448A, VAL448B
• A-C: ALA135A, ALA135C, ALA419A, ALA419C, ALA65A, ALA65C, ALA68A, ALA68C, ARG124A, ARG124C, ARG138A, ARG138C, ARG420A, ARG420C, ARG424A, ARG424C, ARG71A, ARG71C, ASN440A, ASN440C, ASP128A, ASP128C, ASP136A, ASP136C, ASP266A, ASP266C, ASP268C, ASP421A, ASP421C, GLN134A, GLN134C, GLN144A, GLN144C, GLU120A, GLU120C, GLU121A, GLU121C, GLU70A, GLU70C, GLY122A, GLY122C, GLY127A, GLY127C, GLY132A, GLY132C, HIS133A, HIS133C, ILE125A, ILE125C, ILE130A, ILE130C, ILE140A, ILE140C, ILE142A, ILE142C, ILE439A, ILE439C, ILE479A, ILE479C, LEU139A, LEU139C, LEU422A, LEU422C, LEU66A, LEU66C, LYS123A, LYS123C, LYS137A, LYS137C, LYS143A, LYS143C, LYS271A, LYS271C, LYS465A, LYS465C, LYS69A, LYS69C, MET477A, MET477C, PHE417A, PHE417C, PHE426A, PHE426C, PRO131A, PRO131C, SER423A, SER423C, THR129A, THR129C, THR67A, THR67C, TYR126A, TYR126C, TYR418A, TYR418C, VAL141A, VAL141C, VAL425A, VAL425C
• A-D: ALA112A, ALA112D, ALA119A, ALA119D, ALA135A, ALA135D, ALA449A, ALA449D, ALA68A, ALA68D, ALA72A, ALA72D, ARG124A, ARG124D, ARG138A, ARG138D, ARG424A, ARG424D, ARG427A, ARG427D, ARG76A, ARG76D, ASN446A, ASN446D, ASN80A, ASN80D, ASP128A, ASP128D, GLU116A, GLU116D, GLU120A, GLU120D, GLU121A, GLU121D, GLU430A, GLU430D, GLU447A, GLU447D, GLY122A, GLY122D, GLY127A, GLY127D, GLY480A, GLY480D, ILE125A, ILE125D, ILE140A, ILE140D, ILE479A, ILE479D, LEU139A, LEU139D, LEU422A, LEU422D, LEU481A, LEU481D, LYS123A, LYS123D, LYS137A, LYS137D, LYS465A, LYS465D, LYS69A, LYS69D, MET477A, MET477D, PHE114A, PHE114D, PHE118A, PHE118D, PHE426A, PHE426D, PHE79A, PHE79D, PRO450A, PRO450D, SER109A, SER109D, SER113A, SER113D, SER423A, SER423D, SER464A, SER464D, THR129A, THR129D, THR73A, THR73D, TRP117A, TRP117D, TYR110A, TYR110D, TYR126A, TYR126D, TYR466A, TYR466D, VAL425A, VAL425D, VAL448A, VAL448D
• B-C: ALA112B, ALA112C, ALA119B, ALA119C, ALA135B, ALA135C, ALA449B, ALA449C, ALA68B, ALA68C, ALA72B, ALA72C, ARG124B, ARG124C, ARG138B, ARG138C, ARG424B, ARG424C, ARG427B, ARG427C, ARG76B, ARG76C, ASN446B, ASN446C, ASN80B, ASN80C, ASP128B, ASP128C, GLU116B, GLU116C, GLU120B, GLU120C, GLU121B, GLU121C, GLU430B, GLU430C, GLU447B, GLU447C, GLY122B, GLY122C, GLY127B, GLY127C, GLY480B, GLY480C, ILE125B, ILE125C, ILE140B, ILE140C, ILE468B, ILE479B, ILE479C, LEU139B, LEU139C, LEU422B, LEU422C, LEU481B, LEU481C, LYS123B, LYS123C, LYS137B, LYS137C, LYS465B, LYS465C, LYS69B, LYS69C, MET477B, MET83B, PHE114B, PHE114C, PHE118B, PHE118C, PHE426B, PHE426C, PHE79B, PHE79C, PRO450B, PRO450C, SER109B, SER109C, SER113B, SER113C, SER423B, SER423C, SER464B, SER464C, THR129B, THR129C, THR73B, THR73C, TRP117B, TRP117C, TYR110B, TYR110C, TYR126B, TYR126C, TYR466B, TYR466C, VAL425B, VAL425C, VAL448B, VAL448C
• B-D: ALA135B, ALA135D, ALA419B, ALA419D, ALA65B, ALA65D, ALA68B, ALA68D, ARG124B, ARG124D, ARG138B, ARG138D, ARG420B, ARG420D, ARG424B, ARG424D, ARG427D, ARG71B, ARG71D, ASN440B, ASN440D, ASP128B, ASP128D, ASP136B, ASP136D, ASP266B, ASP266D, ASP421B, ASP421D, GLN134B, GLN134D, GLN144B, GLN144D, GLU120B, GLU120D, GLU121B, GLU121D, GLU70B, GLU70D, GLY122B, GLY122D, GLY127B, GLY127D, GLY132B, GLY132D, HIS133B, HIS133D, ILE125B, ILE125D, ILE130B, ILE130D, ILE140B, ILE140D, ILE142B, ILE142D, ILE439B, ILE439D, ILE479B, ILE479D, LEU139B, LEU139D, LEU422B, LEU422D, LEU66B, LEU66D, LYS123B, LYS123D, LYS137B, LYS137D, LYS143B, LYS143D, LYS271B, LYS271D, LYS465B, LYS465D, LYS69B, LYS69D, MET477B, MET477D, PHE417B, PHE417D, PHE426B, PHE426D, PRO131B, PRO131D, SER423B, SER423D, THR129B, THR129D, THR67B, THR67D, TYR126B, TYR126D, TYR418B, TYR418D, VAL141B, VAL141D, VAL425B, VAL425D
• C-D: ALA245C, ALA245D, ALA414C, ALA414D, ALA415C, ALA415D, ALA419C, ALA419D, ALA431C, ALA431D, ALA449C, ALA449D, ALA456C, ALA456D, ARG138C, ARG138D, ARG226C, ARG226D, ARG238C, ARG238D, ARG427C, ARG427D, ARG461C, ARG461D, ARG64C, ARG64D, ASN407C, ASN407D, ASN440C, ASN440D, ASN446C, ASN446D, ASP128C, ASP128D, ASP136C, ASP136D, ASP247C, ASP247D, ASP408C, ASP408D, CYS244C, CYS244D, CYS478C, CYS478D, GLN134C, GLN134D, GLN144C, GLN144D, GLN239C, GLN239D, GLN243C, GLN243D, GLU235C, GLU235D, GLU242C, GLU242D, GLU254C, GLU254D, GLU410C, GLU410D, GLU430C, GLU430D, GLU433C, GLU433D, GLU447C, GLU447D, GLU469C, GLU469D, GLU473C, GLU473D, GLY127C, GLY127D, GLY132C, GLY132D, GLY147C, GLY237C, GLY237D, GLY256C, GLY256D, GLY412C, GLY412D, GLY429C, GLY429D, GLY435C, GLY435D, GLY438C, GLY438D, GLY442C, GLY442D, GLY452C, GLY452D, GLY453C, GLY453D, GLY458C, GLY458D, GLY460C, GLY460D, GLY467C, GLY467D, GLY480C, GLY480D, HIS133C, HIS133D, ILE130C, ILE130D, ILE140C, ILE140D, ILE142C, ILE142D, ILE146C, ILE146D, ILE236C, ILE236D, ILE248C, ILE248D, ILE403D, ILE436C, ILE436D, ILE439C, ILE439D, ILE443C, ILE443D, ILE444C, ILE444D, ILE454C, ILE454D, ILE474C, ILE474D, ILE479C, ILE479D, LEU139C, LEU139D, LEU224C, LEU224D, LEU240C, LEU240D, LEU253C, LEU253D, LEU255C, LEU255D, LEU413C, LEU413D, LEU422C, LEU422D, LEU432C, LEU432D, LEU459C, LEU459D, LEU472C, LEU472D, LEU481C, LEU481D, LEU60C, LEU60D, LYS137C, LYS137D, LYS143C, LYS143D, LYS227C, LYS227D, LYS246C, LYS246D, LYS249C, LYS249D, LYS250C, LYS250D, LYS271C, LYS271D, LYS455C, LYS455D, LYS465C, LYS465D, LYS475C, LYS475D, MET241C, MET241D, MET477C, MET477D, PHE230C, PHE230D, PHE411C, PHE411D, PHE417C, PHE417D, PHE426C, PHE426D, PHE451C, PHE451D, PRO131C, PRO131D, PRO145C, PRO145D, PRO223C, PRO223D, PRO450C, PRO450D, SER233C, SER233D, SER445C, SER445D, SER457C, SER457D, SER464C, SER464D, THR129C, THR129D, THR234C, THR234D, THR409C, THR409D, THR441C, THR441D, TRP117C, TRP117D, TYR110D, TYR126C, TYR126D, TYR416C, TYR416D, TYR418C, TYR418D, TYR434C, TYR434D, TYR466C, TYR466D, TYR476C, TYR476D, VAL141C, VAL141D, VAL225C, VAL251C, VAL251D, VAL289C, VAL289D, VAL425C, VAL425D, VAL428C, VAL428D, VAL437C, VAL437D, VAL448C, VAL448D