1ZQ1

structure of gatde trna-dependent amidotransferase from pyrococcus abyssi

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 198
  • Norm. En. per Res.: -4.8114
• 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	-136.0747	-190.7987	-710.877	-1037.7504	246	90	7	30223	16	78	73
A-C	-205.0444	-144.5589	-564.519	-914.1223	199	59	8	25228	19	109	96
A-D	-41.6002	-16.1866	-200.436	-258.2228	75	18	5	7989	1	25	20
B-C	-25.173	-13.4001	-175.763	-214.3361	70	25	5	7952	2	26	22
B-D	-230.1977	-118.9048	-603.558	-952.6605	198	61	9	25471	14	108	94

Interface residues

• A-B: ALA187A, ALA204A, ALA204B, ALA264A, ALA264B, ALA308A, ALA308B, ALA385A, ALA43A, ALA43B, ARG206A, ARG206B, ARG210A, ARG210B, ARG255A, ARG255B, ARG261A, ARG261B, ARG262A, ARG262B, ARG266A, ARG266B, ARG370A, ARG370B, ARG380A, ARG380B, ARG432A, ARG432B, ARG438A, ARG438B, ASN269A, ASN269B, ASN344A, ASN344B, ASN372A, ASN372B, ASN374A, ASN374B, ASP148A, ASP148B, ASP179A, ASP179B, ASP209B, ASP263A, ASP263B, ASP322A, ASP322B, ASP326B, ASP345A, ASP345B, ASP392A, ASP392B, ASP434A, ASP434B, CYS366A, CYS366B, GLN205A, GLN205B, GLN365A, GLN365B, GLU147A, GLU147B, GLU240A, GLU240B, GLU305A, GLU305B, GLU319A, GLU319B, GLU335A, GLU335B, GLU351A, GLU391A, GLU391B, GLU396A, GLU396B, GLU40A, GLU40B, GLY182A, GLY182B, GLY239A, GLY239B, GLY242A, GLY242B, GLY315A, GLY315B, GLY336A, GLY336B, GLY338A, GLY338B, GLY340A, GLY340B, GLY369A, GLY369B, GLY379A, GLY379B, GLY44A, HIS153A, HIS153B, HIS176A, HIS176B, HIS258A, HIS258B, HIS341A, HIS341B, ILE268A, ILE268B, ILE316A, ILE316B, ILE320A, ILE320B, ILE321A, ILE321B, ILE332A, ILE332B, ILE346A, ILE346B, ILE347A, ILE347B, ILE367A, ILE367B, LEU309A, LEU309B, LEU324A, LEU324B, LEU339A, LEU339B, LEU373A, LEU373B, LEU382A, LEU382B, LEU383A, LEU383B, LEU394A, LEU394B, LEU41A, LEU41B, LEU437A, LEU437B, LYS150A, LYS150B, LYS152A, LYS152B, LYS256A, LYS256B, LYS306A, LYS306B, LYS311A, LYS311B, LYS327A, LYS327B, LYS381A, LYS381B, LYS384A, LYS384B, PHE145A, PHE145B, PHE265A, PHE265B, PHE323A, PHE323B, PHE433A, PHE433B, PRO151A, PRO151B, PRO314A, PRO314B, PRO343A, PRO343B, PRO395A, PRO395B, SER146A, SER146B, SER207A, SER207B, SER208B, SER260A, SER260B, SER267A, SER267B, SER317A, SER317B, SER318A, SER318B, SER364A, SER364B, SER377A, SER377B, SER42A, SER42B, THR102B, THR178A, THR178B, THR180A, THR180B, THR184A, THR184B, THR241A, THR241B, THR259A, THR259B, THR337A, THR337B, THR342A, THR342B, THR363A, THR363B, THR378A, THR378B, THR397A, THR397B, THR431A, THR431B, THR435A, THR435B, TRP154A, TRP154B, TYR183A, TYR183B, TYR313A, TYR313B, TYR329A, TYR329B, TYR368A, TYR368B, TYR376A, TYR376B, TYR399A, TYR399B, TYR39A, TYR39B, TYR436A, TYR436B, VAL307A, VAL307B, VAL310A, VAL310B, VAL312A, VAL312B, VAL333A, VAL333B, VAL371A, VAL371B, VAL375A, VAL375B, VAL400A, VAL400B
• A-C: ALA104A, ALA113A, ALA113C, ALA117A, ALA120A, ALA124A, ALA126A, ALA139C, ALA142C, ALA215A, ALA216A, ALA264A, ALA430C, ALA43A, ALA60A, ALA64C, ARG106A, ARG123C, ARG137C, ARG206A, ARG210A, ARG261A, ARG262A, ARG431C, ARG442C, ARG48C, ARG49C, ARG51C, ASN112C, ASN131C, ASN218A, ASN279A, ASN53A, ASN56A, ASP108A, ASP117C, ASP144C, ASP209A, ASP214A, ASP243A, ASP25A, ASP263A, ASP437C, ASP445C, ASP446C, ASP45A, ASP61C, ASP89C, CYS160C, CYS221A, CYS246A, GLN136C, GLN205A, GLN47C, GLU110A, GLU118C, GLU121A, GLU122A, GLU129A, GLU162C, GLU189C, GLU23A, GLU240A, GLU24A, GLU27A, GLU28A, GLU40A, GLU435C, GLU453C, GLU56C, GLU59C, GLU62A, GLU78A, GLU90C, GLU91C, GLY112A, GLY129C, GLY134C, GLY242A, GLY26A, GLY44A, GLY54A, GLY58A, GLY58C, HIS22C, HIS238A, HIS258A, HIS80A, ILE103A, ILE107A, ILE125C, ILE127C, ILE130A, ILE140C, ILE141C, ILE159C, ILE220A, ILE438C, ILE443C, ILE57A, ILE59A, ILE60C, ILE64A, LEU123A, LEU127A, LEU161C, LEU219A, LEU41A, LEU441C, LEU47A, LEU49A, LEU50C, LEU51A, LEU57C, LEU61A, LEU65C, LEU85C, LYS114C, LYS124C, LYS125A, LYS22A, LYS448C, LYS449C, LYS452C, LYS50A, LYS63A, LYS76A, MET122C, MET432C, MET54C, MET88C, PHE135C, PHE44C, PHE46C, PHE68C, PHE81A, PRO115C, PRO128A, PRO157C, PRO211A, PRO278A, PRO37A, PRO38A, PRO434C, PRO439C, PRO440C, PRO444C, PRO52C, PRO62C, PRO77A, PRO92C, PRO93C, SER105A, SER133C, SER191C, SER207A, SER208A, SER212A, SER213A, SER260A, SER42A, SER55C, THR111A, THR119A, THR138C, THR143C, THR158C, THR241A, THR244A, THR259A, THR30A, THR436C, THR45C, THR46A, THR53C, TRP277A, TYR109A, TYR109C, TYR115A, TYR120C, TYR121C, TYR245A, TYR31A, TYR39A, TYR433C, TYR55A, TYR74C, TYR76C, TYR80C, VAL114A, VAL116C, VAL119C, VAL126C, VAL132C, VAL29A, VAL48A, VAL73C, VAL79A, VAL86C
• A-D: ARG123D, ARG137D, ARG286A, ARG370A, ARG380A, ARG432A, ARG438A, ARG48D, ARG94D, ASN269A, ASN372A, ASN374A, ASN79D, ASP288A, ASP392A, ASP434A, ASP437D, ASP84D, CYS390A, GLU37D, GLU391A, GLU435D, GLU43D, GLU81D, GLU90D, GLU91D, GLY369A, GLY78D, GLY95D, HIS341A, ILE427A, ILE438D, LEU180D, LEU285A, LEU339A, LEU373A, LEU383A, LEU420A, LEU82D, LEU85D, LYS287A, LYS28D, LYS29D, LYS41D, MET88D, PHE31D, PHE433A, PHE44D, PHE46D, PRO33D, PRO35D, PRO429A, PRO439D, PRO440D, PRO92D, PRO93D, SER32D, SER377A, THR428A, THR431A, THR435A, THR436D, THR45D, THR83D, TYR368A, TYR376A, TYR430A, TYR436A, TYR80D, TYR87D, VAL271A, VAL34D, VAL371A, VAL375A, VAL86D
• B-C: ARG123C, ARG137C, ARG286B, ARG370B, ARG380B, ARG432B, ARG438B, ARG48C, ARG94C, ASN269B, ASN372B, ASN374B, ASN79C, ASP288B, ASP392B, ASP434B, ASP437C, ASP84C, GLU391B, GLU435C, GLU43C, GLU81C, GLU90C, GLU91C, GLY369B, GLY78C, GLY95C, ILE427B, ILE438C, LEU180C, LEU285B, LEU339B, LEU373B, LEU383B, LEU420B, LEU82C, LEU85C, LYS287B, LYS28C, LYS29C, MET88C, PHE31C, PHE433B, PHE44C, PHE46C, PRO33C, PRO35C, PRO429B, PRO439C, PRO440C, PRO92C, PRO93C, SER32C, THR428B, THR431B, THR435B, THR436C, THR45C, THR83C, TYR368B, TYR376B, TYR430B, TYR436B, TYR80C, TYR87C, VAL271B, VAL34C, VAL371B, VAL375B, VAL86C
• B-D: ALA104B, ALA113B, ALA113D, ALA117B, ALA120B, ALA124B, ALA126B, ALA139D, ALA142D, ALA215B, ALA216B, ALA264B, ALA430D, ALA43B, ALA60B, ALA64D, ARG106B, ARG123D, ARG137D, ARG206B, ARG210B, ARG261B, ARG262B, ARG431D, ARG442D, ARG48D, ARG49D, ARG51D, ASN112D, ASN131D, ASN218B, ASN279B, ASN53B, ASN56B, ASP108B, ASP117D, ASP144D, ASP209B, ASP214B, ASP243B, ASP25B, ASP263B, ASP437D, ASP445D, ASP446D, ASP45B, ASP61D, ASP89D, CYS160D, CYS221B, GLN136D, GLN205B, GLN47D, GLU110B, GLU118D, GLU121B, GLU122B, GLU129B, GLU162D, GLU189D, GLU23B, GLU240B, GLU24B, GLU27B, GLU28B, GLU32B, GLU40B, GLU435D, GLU52B, GLU56D, GLU59D, GLU62B, GLU78B, GLU90D, GLU91D, GLY112B, GLY129D, GLY134D, GLY242B, GLY26B, GLY44B, GLY54B, GLY58B, GLY58D, HIS22D, HIS238B, HIS258B, HIS80B, ILE103B, ILE107B, ILE125D, ILE127D, ILE130B, ILE140D, ILE141D, ILE159D, ILE220B, ILE438D, ILE443D, ILE57B, ILE59B, ILE60D, ILE64B, LEU123B, LEU127B, LEU161D, LEU219B, LEU41B, LEU441D, LEU47B, LEU49B, LEU50D, LEU51B, LEU57D, LEU61B, LEU65D, LEU85D, LYS114D, LYS124D, LYS125B, LYS146D, LYS22B, LYS448D, LYS449D, LYS452D, LYS50B, LYS63B, MET122D, MET432D, MET54D, MET88D, PHE135D, PHE44D, PHE46D, PHE68D, PHE81B, PRO115D, PRO128B, PRO157D, PRO211B, PRO278B, PRO37B, PRO38B, PRO434D, PRO439D, PRO440D, PRO444D, PRO52D, PRO62D, PRO77B, PRO92D, PRO93D, SER105B, SER133D, SER191D, SER207B, SER208B, SER212B, SER213B, SER260B, SER42B, SER55D, THR111B, THR119B, THR138D, THR143D, THR158D, THR241B, THR244B, THR259B, THR30B, THR436D, THR45D, THR46B, THR53D, TRP277B, TYR109B, TYR109D, TYR115B, TYR120D, TYR121D, TYR245B, TYR31B, TYR39B, TYR433D, TYR55B, TYR74D, TYR76D, VAL114B, VAL116D, VAL119D, VAL126D, VAL132D, VAL29B, VAL48B, VAL73D, VAL79B, VAL86D