3KU1

crystal structure of streptococcus pneumoniae sp1610, a putative trna (m1a22) methyltransferase, in complex with s- adenosyl-l-methionine

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 64
  • Norm. En. per Res.: -2.3142
• Hub Node: C(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	-11.7053	-41.6354	-88.6755	-142.0162	62	6	0	4707	2	25	29
A-H	0.0	0.0	-0.8321	-0.8321	12	0	0	117	0	8	7
B-E	-7.207	6.8989	-124.416	-124.7242	56	6	3	5710	1	30	29
C-D	-7.3332	-37.2273	-103.547	-148.1075	64	8	0	5048	2	27	31
C-E	-20.7406	-0.0137	-83.8359	-104.5902	48	6	3	3483	0	13	13
C-G	0.0	0.0	-0.8422	-0.8422	12	0	0	134	0	7	7
D-E	0.0	21.8172	-25.0614	-3.2442	42	5	0	1958	0	18	21
D-F	-2.5159	14.4532	-140.511	-128.5736	57	4	3	5931	2	30	28
E-G	0.0	-1.4981	-73.4959	-74.994	45	14	4	4024	0	30	28

Interface residues

• A-B: ALA10B, ALA61B, ARG100A, ARG114B, ARG122A, ARG36B, ARG96A, ASN120A, ASN121A, ASN58B, ASN74A, ASP125A, ASP25A, GLN15B, GLN38B, GLU103A, GLU104A, GLU32B, GLU35B, GLU46A, GLU49A, GLU60B, GLU66B, GLU7B, GLY23A, GLY37B, GLY50A, GLY63B, GLY75A, GLY92A, GLY94A, GLY95A, HIS26A, HIS62B, ILE101A, ILE2B, ILE31B, ILE98A, LEU33B, LEU64B, LEU72A, LEU97A, LYS148A, LYS191A, LYS40B, LYS65B, LYS67B, MET1B, MET93A, PHE12B, PRO51A, SER11B, SER14B, SER3B, SER54A, TYR28B, TYR52A, VAL13B, VAL34B, VAL47A, VAL48A, VAL59B
• A-H: GLN183A, GLN183H, GLN186A, GLN186H, GLU144A, GLU144H, LYS4A, LYS4H, PRO179A, PRO179H, VAL180A, VAL180H
• B-E: ALA146B, ALA146E, ALA189B, ALA189E, ALA195B, ALA195E, ARG122B, ARG122E, ARG168B, ARG168E, GLN183B, GLN183E, GLN186B, GLN186E, GLU144B, GLU144E, GLU145B, GLU145E, GLU188B, GLU188E, GLU190B, GLU190E, GLU193B, GLU193E, GLY147B, GLY147E, ILE214B, ILE214E, LEU192B, LEU192E, LEU196B, LEU196E, LEU210B, LEU210E, LYS148B, LYS148E, LYS184B, LYS184E, LYS187B, LYS187E, LYS191B, LYS191E, LYS213B, LYS213E, PHE149B, PHE149E, PHE194B, PHE194E, PRO179B, PRO179E, VAL180B, VAL180E, VAL182B, VAL182E, VAL209B, VAL209E
• C-D: ALA10D, ALA61D, ARG100C, ARG114D, ARG122C, ARG36D, ARG96C, ASN120C, ASN121C, ASN58D, ASN74C, ASP125C, ASP25C, GLN15D, GLN38D, GLU103C, GLU104C, GLU32D, GLU35D, GLU46C, GLU49C, GLU60D, GLU66D, GLU7D, GLY23C, GLY37D, GLY50C, GLY63D, GLY75C, GLY92C, GLY94C, GLY95C, HIS26C, HIS62D, ILE101C, ILE2D, ILE31D, ILE98C, LEU192C, LEU33D, LEU64D, LEU72C, LEU8D, LEU97C, LYS148C, LYS191C, LYS40D, LYS65D, LYS67D, MET1D, MET93C, PHE12D, PRO51C, SER11D, SER14D, SER3D, SER54C, TYR28D, TYR52C, VAL13D, VAL34D, VAL47C, VAL48C, VAL59D
• C-E: ALA189C, ALA195C, ALA73E, ALA77E, ALA91E, ALA99E, ARG100E, ARG207C, ARG96E, ASN74E, ASP25E, GLN208C, GLN53E, GLU103E, GLU104E, GLU188C, GLU190C, GLU193C, GLU205C, GLU206C, GLU46E, GLU49E, GLY105E, GLY23E, GLY50E, GLY75E, GLY92E, GLY94E, ILE101E, ILE98E, LEU102E, LEU192C, LEU196C, LEU210C, LEU72E, LEU76E, LEU97E, LYS191C, LYS213C, MET93E, PHE194C, PRO51E, SER24E, TYR52E, VAL209C, VAL22E, VAL47E, VAL48E
• C-G: GLN183C, GLN183G, GLN186G, GLU144C, GLU144G, GLU190G, LYS4C, LYS4G, PRO179C, PRO179G, VAL180C, VAL180G
• D-E: ALA73D, ALA73E, ALA77D, ALA77E, ARG71D, ARG71E, ASN74D, ASN74E, ASP83D, ASP83E, GLN53D, GLN53E, GLN69D, GLN69E, GLU46D, GLU46E, GLU49D, GLU49E, GLU60D, GLU60E, GLU66D, GLU66E, GLU80D, GLU80E, LEU72D, LEU72E, LYS57D, LYS57E, LYS65D, LYS65E, THR82D, THR82E, TYR52D, TYR52E, VAL47D, VAL47E, VAL48D, VAL48E, VAL56D, VAL56E, VAL70D, VAL70E
• D-F: ALA146D, ALA146F, ALA189D, ALA189F, ALA195D, ALA195F, ARG122D, ARG122F, ARG168D, ARG168F, ARG207F, GLN183D, GLN183F, GLN186D, GLN186F, GLU144D, GLU144F, GLU145D, GLU145F, GLU188D, GLU188F, GLU190D, GLU190F, GLU193D, GLU193F, GLY147D, GLY147F, ILE214D, ILE214F, LEU192D, LEU192F, LEU196D, LEU196F, LEU210D, LEU210F, LYS148D, LYS148F, LYS184D, LYS184F, LYS187D, LYS187F, LYS191D, LYS191F, LYS213D, LYS213F, PHE149D, PHE149F, PHE194D, PHE194F, PRO179D, PRO179F, VAL180D, VAL180F, VAL182D, VAL182F, VAL209D, VAL209F
• E-G: ALA164E, ALA55G, ALA61G, ALA99E, ARG100E, ARG127E, ARG168E, ARG96E, ASN58G, ASP124E, ASP125E, ASP132E, ASP166E, ASP25G, GLN131E, GLN159E, GLN53G, GLU103E, GLU35G, GLU60G, GLY134E, GLY50G, GLY63G, HIS133E, HIS26G, HIS62G, ILE128E, ILE2G, ILE31G, LEU162E, LEU64G, LYS161E, LYS57G, LYS65G, MET160E, MET1G, SER163E, SER165E, SER54G, TRP129E, TYR28G, TYR52G, VAL167E, VAL56G, VAL59G