1T8S

crystal structure of e.coli amp nucleosidase complexed with formicin 5'-monophosphate

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 199
  • Norm. En. per Res.: -2.7699
• Hub Node: A(4)

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	-39.9215	1.2972	-390.814	-429.4383	197	29	1	17760	10	90	108
A-C	0.0	0.0	-2.1889	-2.1889	7	0	0	142	0	2	2
A-E	0.0	0.0	-0.0978	-0.0978	3	0	0	23	0	1	2
A-F	-38.7278	32.8343	-505.228	-511.1215	194	30	6	21960	8	59	100
B-C	-49.1456	12.9149	-514.989	-551.2196	199	27	5	22346	5	61	101
B-D	0.0	0.0	-0.0778	-0.0778	4	0	0	24	0	1	2
B-F	0.0	0.0	-0.4096	-0.4096	5	0	0	67	0	2	1
C-D	-40.2239	19.2916	-363.565	-384.4972	189	20	2	16938	8	86	102
C-E	0.0	0.0	-0.2301	-0.2301	6	0	0	44	0	2	2
D-E	-36.0184	30.4928	-516.286	-521.8116	197	29	5	22235	6	58	98
D-F	0.0	0.0	-0.0358	-0.0358	4	0	0	14	0	1	1
E-F	-42.457	10.1586	-381.25	-413.5485	188	17	2	16740	7	88	102

Interface residues

• A-B: ALA140A, ALA140B, ALA184A, ALA184B, ALA254A, ALA254B, ALA285A, ALA314A, ALA314B, ALA333A, ALA333B, ALA389A, ALA389B, ALA448A, ALA448B, ARG136A, ARG136B, ARG177A, ARG177B, ARG178A, ARG178B, ARG185A, ARG185B, ARG208A, ARG208B, ARG369B, ARG381A, ARG381B, ARG386A, ARG386B, ARG415A, ARG415B, ASN205A, ASN205B, ASN277A, ASN277B, ASN284A, ASN284B, ASN382A, ASN382B, ASP135A, ASP211A, ASP211B, ASP252A, ASP252B, ASP290A, ASP290B, ASP317A, ASP317B, ASP327A, ASP327B, ASP328A, ASP328B, ASP332A, ASP332B, ASP379A, ASP379B, ASP380A, ASP380B, ASP428A, ASP428B, CYS289A, CYS289B, GLN259A, GLN259B, GLN313A, GLN313B, GLN412A, GLN412B, GLU212A, GLU212B, GLU384A, GLU384B, GLU405A, GLU405B, GLU434A, GLU434B, GLY279A, GLY279B, GLY281A, GLY281B, GLY316A, GLY316B, GLY433A, GLY433B, HIS188A, HIS188B, HIS258A, HIS258B, HIS291A, HIS291B, HIS329A, HIS329B, HIS432A, HIS432B, ILE250A, ILE250B, ILE278A, ILE278B, ILE288A, ILE288B, ILE315A, ILE315B, ILE435A, ILE435B, LEU134A, LEU142A, LEU142B, LEU253A, LEU253B, LEU292A, LEU292B, LEU331A, LEU331B, LEU335A, LEU335B, LEU385A, LEU385B, LEU431A, LEU431B, LYS256A, LYS256B, LYS257A, LYS257B, LYS286A, LYS286B, LYS429A, LYS429B, LYS436A, LYS436B, PHE146A, PHE174A, PHE174B, PHE181A, PHE181B, PHE416A, PHE416B, PRO122A, PRO122B, PRO124A, PRO124B, PRO147A, PRO147B, PRO261A, PRO261B, PRO282A, PRO282B, PRO430A, PRO430B, SER139A, SER139B, SER182A, SER182B, SER251A, SER251B, SER283A, SER283B, SER427A, THR143A, THR143B, THR148A, THR148B, THR149A, THR149B, THR207A, THR207B, THR287A, THR287B, THR378A, THR378B, TRP255A, TRP255B, TRP263A, TRP263B, TRP383A, TRP383B, TYR123A, TYR123B, TYR125A, TYR125B, TYR189A, TYR189B, TYR206A, TYR206B, TYR209A, TYR209B, VAL210A, VAL210B, VAL280A, VAL280B, VAL294A, VAL330A, VAL330B, VAL334A, VAL334B, VAL426A, VAL426B
• A-C: ALA80C, ARG144A, ASP62C, GLY63C, SER64C, THR65C, TYR145A
• A-E: ARG144E, GLY63A, SER64A
• A-F: ALA314A, ALA314F, ALA323A, ALA323F, ALA333A, ALA333F, ALA345A, ALA345F, ALA391A, ALA391F, ALA399A, ALA399F, ALA401A, ALA401F, ALA411A, ALA411F, ALA73A, ALA73F, ARG310A, ARG310F, ARG326A, ARG326F, ARG349A, ARG349F, ARG369A, ARG369F, ARG371A, ARG371F, ARG393A, ARG393F, ARG398A, ARG398F, ARG415A, ARG415F, ARG417A, ARG417F, ARG469A, ARG469F, ARG473A, ARG473F, ARG476A, ARG476F, ARG72A, ARG72F, ARG76A, ARG76F, ASN395A, ASN395F, ASN479A, ASN479F, ASN67A, ASN67F, ASP317F, ASP327A, ASP327F, ASP332A, ASP332F, ASP338A, ASP338F, GLN313A, GLN313F, GLN348A, GLN348F, GLN368A, GLN368F, GLN412A, GLN412F, GLU311A, GLU311F, GLU346A, GLU346F, GLU364A, GLU364F, GLU365A, GLU365F, GLU480A, GLU480F, GLY308A, GLY308F, GLY373A, GLY373F, GLY413A, GLY413F, HIS173A, HIS322A, HIS322F, HIS432A, HIS432F, HIS471A, HIS471F, HIS79A, HIS79F, ILE339A, ILE339F, ILE341A, ILE341F, ILE344A, ILE344F, ILE402A, ILE402F, LEU309A, LEU309F, LEU320A, LEU320F, LEU325A, LEU325F, LEU335A, LEU335F, LEU370A, LEU370F, LEU392A, LEU392F, LEU396A, LEU396F, LEU431A, LEU431F, LEU475A, LEU475F, LYS356A, LYS356F, LYS367A, LYS367F, LYS429F, LYS474A, LYS474F, LYS70A, LYS70F, PHE394A, PHE394F, PHE416A, PHE416F, PHE478A, PHE478F, PHE77A, PHE77F, PRO336A, PRO336F, PRO337A, PRO337F, PRO340A, PRO340F, PRO342A, PRO342F, PRO68A, PRO68F, PRO69A, PRO69F, SER312A, SER312F, SER343A, SER343F, SER397A, SER397F, SER472A, SER472F, THR372A, THR372F, THR374A, THR374F, THR477A, THR477F, THR71A, THR71F, THR78A, THR78F, TRP383F, TRP61A, TRP61F, TYR318A, TYR318F, TYR324A, TYR324F, TYR352A, TYR352F, TYR387A, TYR387F, TYR414A, TYR414F, TYR420A, TYR420F, VAL319A, VAL319F, VAL334A, VAL334F, VAL366A, VAL366F, VAL375A, VAL375F, VAL376A, VAL376F, VAL400A, VAL400F, VAL418A, VAL418F
• B-C: ALA314B, ALA314C, ALA323B, ALA323C, ALA333B, ALA333C, ALA345B, ALA345C, ALA391B, ALA391C, ALA399B, ALA399C, ALA401B, ALA401C, ALA411B, ALA411C, ALA73B, ALA73C, ARG310B, ARG310C, ARG326B, ARG326C, ARG349B, ARG349C, ARG369B, ARG369C, ARG371B, ARG371C, ARG393B, ARG393C, ARG398B, ARG398C, ARG415B, ARG415C, ARG417B, ARG417C, ARG469B, ARG469C, ARG473B, ARG473C, ARG476B, ARG476C, ARG72B, ARG72C, ARG76B, ARG76C, ASN395B, ASN395C, ASN479B, ASN479C, ASN67B, ASN67C, ASP317B, ASP327B, ASP327C, ASP332B, ASP332C, ASP338B, ASP338C, ASP468C, GLN313B, GLN313C, GLN348B, GLN348C, GLN368B, GLN368C, GLN412B, GLN412C, GLU311B, GLU311C, GLU346B, GLU346C, GLU364B, GLU364C, GLU365B, GLU365C, GLU480B, GLU480C, GLY308B, GLY308C, GLY373B, GLY373C, GLY413B, GLY413C, HIS173B, HIS173C, HIS322B, HIS322C, HIS432B, HIS432C, HIS471B, HIS471C, HIS79B, HIS79C, ILE339B, ILE339C, ILE341B, ILE341C, ILE344B, ILE344C, ILE402B, LEU309B, LEU309C, LEU320B, LEU320C, LEU325B, LEU325C, LEU335B, LEU335C, LEU370B, LEU370C, LEU392B, LEU392C, LEU396B, LEU396C, LEU431B, LEU431C, LEU470C, LEU475B, LEU475C, LYS356B, LYS356C, LYS367B, LYS367C, LYS429B, LYS474B, LYS474C, LYS70B, LYS70C, PHE394B, PHE394C, PHE416B, PHE416C, PHE478B, PHE478C, PHE77B, PHE77C, PRO336B, PRO336C, PRO337B, PRO337C, PRO340B, PRO340C, PRO342B, PRO342C, PRO430B, PRO68B, PRO68C, PRO69B, PRO69C, SER312B, SER312C, SER343B, SER343C, SER397B, SER397C, SER472B, SER472C, THR372B, THR372C, THR374B, THR374C, THR477B, THR477C, THR71B, THR71C, THR78B, THR78C, TRP383B, TRP61B, TRP61C, TYR108B, TYR108C, TYR318B, TYR318C, TYR324B, TYR324C, TYR352B, TYR352C, TYR387B, TYR387C, TYR414B, TYR414C, TYR420B, TYR420C, VAL319B, VAL319C, VAL334B, VAL334C, VAL366B, VAL366C, VAL375B, VAL375C, VAL376B, VAL376C, VAL400B, VAL400C, VAL418B, VAL418C
• B-D: ARG144D, ASP62B, GLY63B, SER64B
• B-F: ALA80F, ARG144B, ASP62F, GLY63F, SER64F
• C-D: ALA140C, ALA140D, ALA184C, ALA184D, ALA254C, ALA254D, ALA285D, ALA314D, ALA333C, ALA333D, ALA389C, ALA389D, ALA448D, ARG136C, ARG136D, ARG177C, ARG177D, ARG178C, ARG178D, ARG185C, ARG185D, ARG208C, ARG208D, ARG361D, ARG369D, ARG381C, ARG381D, ARG386C, ARG386D, ARG415C, ARG415D, ASN205C, ASN205D, ASN277C, ASN277D, ASN284C, ASN284D, ASN382C, ASN382D, ASP211C, ASP211D, ASP252C, ASP252D, ASP290C, ASP290D, ASP317D, ASP327C, ASP327D, ASP328C, ASP328D, ASP332C, ASP332D, ASP379C, ASP379D, ASP380C, ASP380D, ASP428C, ASP428D, CYS289C, CYS289D, GLN259C, GLN259D, GLN313D, GLN368D, GLN412C, GLN412D, GLU212C, GLU212D, GLU384C, GLU384D, GLU405C, GLU405D, GLU434C, GLU434D, GLY279C, GLY279D, GLY281C, GLY281D, GLY316D, GLY433C, GLY433D, HIS188C, HIS188D, HIS258C, HIS258D, HIS291C, HIS291D, HIS329C, HIS329D, HIS432C, HIS432D, ILE250C, ILE250D, ILE278C, ILE288C, ILE288D, ILE315C, ILE315D, ILE435C, ILE435D, LEU142C, LEU142D, LEU253C, LEU253D, LEU292C, LEU292D, LEU331C, LEU331D, LEU335C, LEU335D, LEU385C, LEU385D, LEU431C, LEU431D, LYS256C, LYS256D, LYS257C, LYS257D, LYS286C, LYS286D, LYS429C, LYS429D, LYS436C, LYS436D, PHE174C, PHE174D, PHE181C, PHE181D, PHE416C, PHE416D, PRO122C, PRO122D, PRO124C, PRO124D, PRO147C, PRO147D, PRO261C, PRO261D, PRO282C, PRO282D, PRO430C, PRO430D, SER139C, SER139D, SER182C, SER182D, SER251C, SER251D, SER283C, SER283D, SER312D, SER427C, THR143C, THR143D, THR148C, THR148D, THR149C, THR149D, THR207C, THR207D, THR287C, THR287D, THR378C, THR378D, TRP255C, TRP255D, TRP263C, TRP263D, TRP383C, TRP383D, TYR123C, TYR123D, TYR125C, TYR125D, TYR189C, TYR189D, TYR206C, TYR206D, TYR209C, TYR209D, VAL210C, VAL210D, VAL280C, VAL280D, VAL294D, VAL330C, VAL330D, VAL334C, VAL334D
• C-E: ALA80E, ARG144C, ASP62E, GLY63E, SER64E, THR65E
• D-E: ALA314D, ALA314E, ALA323D, ALA323E, ALA333D, ALA333E, ALA345D, ALA345E, ALA391D, ALA391E, ALA399D, ALA399E, ALA401D, ALA401E, ALA411D, ALA411E, ALA73D, ALA73E, ARG310D, ARG310E, ARG326D, ARG326E, ARG349D, ARG349E, ARG369D, ARG369E, ARG371D, ARG371E, ARG393D, ARG393E, ARG398D, ARG398E, ARG415D, ARG415E, ARG417D, ARG417E, ARG469D, ARG469E, ARG473D, ARG473E, ARG476D, ARG476E, ARG72D, ARG72E, ARG76D, ARG76E, ASN395D, ASN395E, ASN479D, ASN479E, ASN67D, ASN67E, ASP317D, ASP317E, ASP327D, ASP327E, ASP332D, ASP332E, ASP338D, ASP338E, ASP468D, ASP468E, GLN313D, GLN313E, GLN348D, GLN348E, GLN368D, GLN368E, GLN412D, GLN412E, GLU311D, GLU311E, GLU346D, GLU346E, GLU364D, GLU364E, GLU365D, GLU365E, GLU480D, GLU480E, GLY308D, GLY308E, GLY373D, GLY373E, GLY413D, GLY413E, HIS173E, HIS322D, HIS322E, HIS432D, HIS432E, HIS471D, HIS471E, HIS79D, HIS79E, ILE339D, ILE339E, ILE341D, ILE341E, ILE344D, ILE344E, ILE402D, ILE402E, LEU309D, LEU309E, LEU320D, LEU320E, LEU325D, LEU325E, LEU335D, LEU335E, LEU370D, LEU370E, LEU392D, LEU392E, LEU396D, LEU396E, LEU431D, LEU431E, LEU470D, LEU470E, LEU475D, LEU475E, LYS356D, LYS356E, LYS367D, LYS367E, LYS429D, LYS474D, LYS474E, LYS70D, LYS70E, PHE394D, PHE394E, PHE416D, PHE416E, PHE478D, PHE478E, PHE77D, PHE77E, PRO336D, PRO336E, PRO337D, PRO337E, PRO340D, PRO340E, PRO342D, PRO342E, PRO68D, PRO68E, PRO69D, PRO69E, SER312D, SER312E, SER343D, SER343E, SER397D, SER397E, SER472D, SER472E, THR372D, THR372E, THR374D, THR374E, THR477D, THR477E, THR71D, THR71E, THR78D, THR78E, TRP383D, TRP61E, TYR108E, TYR318D, TYR318E, TYR324D, TYR324E, TYR352D, TYR352E, TYR387D, TYR387E, TYR414D, TYR414E, TYR420D, TYR420E, VAL319D, VAL319E, VAL334D, VAL334E, VAL366D, VAL366E, VAL375D, VAL375E, VAL376D, VAL376E, VAL400D, VAL400E
• D-F: ARG144F, ASP62D, GLY63D, SER64D
• E-F: ALA140E, ALA140F, ALA184E, ALA184F, ALA254E, ALA254F, ALA285E, ALA314E, ALA314F, ALA333E, ALA333F, ALA389E, ALA389F, ALA448E, ARG136E, ARG136F, ARG177E, ARG177F, ARG178E, ARG178F, ARG185E, ARG185F, ARG208E, ARG208F, ARG381E, ARG381F, ARG386E, ARG386F, ARG415E, ARG415F, ASN205E, ASN205F, ASN277E, ASN277F, ASN284E, ASN284F, ASN382E, ASN382F, ASP135F, ASP211E, ASP211F, ASP252E, ASP252F, ASP290E, ASP290F, ASP317F, ASP327E, ASP327F, ASP328E, ASP328F, ASP332E, ASP332F, ASP379E, ASP379F, ASP380E, ASP380F, ASP428E, ASP428F, CYS289E, CYS289F, GLN259E, GLN259F, GLN313F, GLN412E, GLN412F, GLU212E, GLU212F, GLU384E, GLU384F, GLU405E, GLU405F, GLU434E, GLU434F, GLY279E, GLY279F, GLY281E, GLY281F, GLY316E, GLY316F, GLY433E, GLY433F, HIS188E, HIS188F, HIS258E, HIS258F, HIS291E, HIS291F, HIS329E, HIS329F, HIS432E, HIS432F, ILE250E, ILE250F, ILE278E, ILE278F, ILE288E, ILE288F, ILE315E, ILE315F, ILE435E, ILE435F, LEU142E, LEU142F, LEU253E, LEU253F, LEU292E, LEU292F, LEU331E, LEU331F, LEU335E, LEU335F, LEU385E, LEU385F, LEU431E, LEU431F, LYS256E, LYS256F, LYS257E, LYS257F, LYS286E, LYS286F, LYS429E, LYS429F, LYS436E, LYS436F, PHE174E, PHE174F, PHE181E, PHE181F, PHE416E, PHE416F, PRO122E, PRO122F, PRO124E, PRO124F, PRO261E, PRO261F, PRO282E, PRO282F, PRO430E, PRO430F, SER139E, SER139F, SER182E, SER182F, SER251E, SER251F, SER283E, SER283F, SER427E, THR143E, THR143F, THR148E, THR148F, THR149E, THR149F, THR207E, THR207F, THR287E, THR287F, THR378E, THR378F, TRP255E, TRP255F, TRP263E, TRP263F, TRP383E, TRP383F, TYR123E, TYR123F, TYR125E, TYR125F, TYR189E, TYR189F, TYR206E, TYR206F, TYR209E, TYR209F, VAL210E, VAL210F, VAL280E, VAL280F, VAL294E, VAL330E, VAL330F, VAL334E, VAL334F, VAL426E