1Q2R

chemical trapping and crystal structure of a catalytic trna guanine transglycosylase covalent intermediate

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 145
  • Norm. En. per Res.: -4.6653
• 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
E-A	0.0	0.0	-8.5067	-8.5067	40	17	0	2362	0	0	0
F-C	0.0	0.0	-9.484	-9.484	39	19	0	2338	0	0	0
A-B	-113.0536	-119.2906	-444.124	-676.4682	145	31	15	18177	14	36	50
B-D	0.0	0.0	-1.5332	-1.5332	12	0	0	294	0	4	8
C-D	-125.9768	-121.1119	-433.083	-680.1717	147	26	15	18067	13	35	50

Interface residues

• E-A: ALA232A, ARG286A, ASN70A, ASP102A, ASP280A, CYS158A, CYS281A, GLN107A, GLY104A, GLY261A, GLY263A, GLY46A, GLY69A, HIS73A, ILE67A, LEU100A, LEU259A, LEU283A, LEU68A, MET109A, MET153A, MET260A, MET43A, N3434E, PHE279A, PHE42A, PRO284A, PRO44A, SER103A, SER110A, THR101A, THR285A, THR47A, THR71A, TYR106A, TYR258A, VAL233A, VAL262A, VAL282A, VAL45A
• F-C: ALA232C, ARG286C, ASN70C, ASP102C, ASP280C, CYS281C, GLN107C, GLY104C, GLY261C, GLY263C, GLY46C, GLY69C, HIS73C, LEU100C, LEU231C, LEU259C, LEU283C, LEU68C, MET109C, MET153C, MET260C, MET43C, N3434F, PHE279C, PHE42C, PRO284C, PRO44C, SER103C, SER110C, THR101C, THR285C, THR47C, THR71C, TYR106C, TYR258C, VAL233C, VAL262C, VAL282C, VAL45C
• A-B: ALA305A, ALA305B, ALA321A, ALA321B, ALA329A, ALA329B, ALA337A, ALA337B, ALA343A, ALA343B, ALA48A, ALA48B, ALA49A, ALA49B, ALA53A, ALA53B, ALA61A, ALA84B, ARG289A, ARG289B, ARG303B, ARG328A, ARG328B, ARG336A, ARG336B, ARG60A, ARG60B, ARG77A, ARG77B, ARG82A, ARG82B, ASP310A, ASP310B, ASP96A, ASP96B, CYS320B, GLU309A, GLU309B, GLU339A, GLU339B, GLU348A, GLU348B, GLU57A, GLU57B, GLU81A, GLU81B, GLY338A, GLY338B, GLY342A, GLY342B, GLY46A, GLY46B, GLY79A, GLY79B, GLY87A, GLY87B, GLY88A, GLY88B, GLY94A, GLY94B, HIS332A, HIS332B, HIS333A, HIS333B, HIS349B, HIS73A, HIS73B, HIS90A, HIS90B, ILE331A, ILE331B, ILE335A, ILE335B, ILE340A, ILE340B, ILE83A, ILE83B, LEU128A, LEU128B, LEU311A, LEU311B, LEU334A, LEU334B, LEU341A, LEU341B, LEU345A, LEU345B, LEU54A, LEU54B, LEU74A, LEU74B, LEU76A, LEU76B, LEU86A, LEU86B, LEU89A, LEU89B, LYS312A, LYS325A, LYS325B, LYS52A, LYS52B, LYS55A, LYS55B, LYS85A, LYS85B, MET344A, MET344B, MET93A, MET93B, PHE307A, PHE307B, PHE92A, PHE92B, PRO56A, PRO56B, PRO78A, PRO78B, SER308A, SER308B, SER327A, SER327B, SER91A, SER91B, THR285A, THR347A, THR347B, THR47A, THR47B, THR50A, THR50B, THR58A, THR58B, TRP326A, TRP326B, TRP95A, TRP95B, TYR330A, TYR330B, VAL322A, VAL322B, VAL51A, VAL51B, VAL59A, VAL59B
• B-D: ARG132B, ARG132D, ASP129B, ASP129D, GLY130B, GLY130D, HIS133B, HIS133D, LYS125B, LYS125D, SER131B, SER131D
• C-D: ALA305C, ALA305D, ALA321C, ALA321D, ALA329C, ALA329D, ALA337C, ALA337D, ALA343C, ALA343D, ALA48C, ALA48D, ALA49C, ALA49D, ALA53C, ALA53D, ALA61C, ALA84D, ARG289C, ARG289D, ARG303D, ARG306D, ARG328C, ARG328D, ARG336C, ARG336D, ARG60D, ARG77C, ARG77D, ARG82C, ARG82D, ASP310C, ASP310D, ASP96C, ASP96D, CYS320C, CYS320D, GLU309C, GLU309D, GLU339C, GLU339D, GLU348C, GLU348D, GLU57C, GLU57D, GLU81C, GLU81D, GLY338C, GLY338D, GLY342C, GLY342D, GLY46C, GLY46D, GLY79C, GLY79D, GLY87C, GLY87D, GLY88C, GLY88D, GLY94C, GLY94D, HIS332C, HIS332D, HIS333C, HIS333D, HIS349C, HIS349D, HIS73C, HIS73D, HIS90C, HIS90D, ILE331C, ILE331D, ILE335C, ILE335D, ILE340C, ILE340D, ILE83C, ILE83D, LEU128C, LEU128D, LEU311C, LEU311D, LEU334C, LEU334D, LEU341C, LEU341D, LEU345C, LEU345D, LEU54C, LEU54D, LEU74C, LEU74D, LEU76C, LEU86C, LEU86D, LEU89C, LEU89D, LYS312C, LYS325C, LYS325D, LYS52C, LYS52D, LYS55C, LYS55D, LYS85C, LYS85D, MET344C, MET344D, MET93C, MET93D, PHE307C, PHE307D, PHE92C, PHE92D, PRO56C, PRO56D, PRO78C, PRO78D, SER308C, SER308D, SER327C, SER327D, SER91C, SER91D, THR285C, THR347C, THR347D, THR47C, THR47D, THR50C, THR50D, THR58C, THR58D, THR62D, TRP326C, TRP326D, TRP95C, TRP95D, TYR330C, TYR330D, VAL322C, VAL322D, VAL51C, VAL51D, VAL59C, VAL59D