3LD9

crystal structure of thymidylate kinase from ehrlichia chaffeensis at 2.15a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 91
  • Norm. En. per Res.: -4.2584
• 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	-47.1419	-37.9111	-302.457	-387.5099	91	12	17	13063	4	24	8
A-C	0.0	0.0	-20.6964	-20.6964	14	0	3	986	0	0	1
A-D	-13.0144	0.6998	-64.6811	-76.9957	47	1	2	3278	0	10	5
B-C	-17.4602	-24.8401	-67.3071	-109.6075	54	5	2	3668	2	9	8
B-D	0.0	0.0	-0.7427	-0.7427	8	0	0	83	0	2	1
C-D	-41.1303	-37.5984	-292.302	-371.0307	90	7	17	12623	4	24	8

Interface residues

• A-B: ALA55A, ALA55B, ALA69A, ALA69B, ARG49A, ARG49B, ARG71A, ARG71B, ARG72A, ARG72B, ASN117A, ASN45A, ASN45B, ASN50A, ASN50B, ASP109A, ASP109B, ASP118A, ASP118B, ASP59A, ASP59B, GLN115A, GLN115B, GLN56A, GLN56B, GLU46A, GLU46B, GLU63A, GLU63B, GLU73A, GLU73B, GLY57A, GLY57B, HIS74A, HIS74B, ILE108A, ILE108B, ILE121A, ILE121B, ILE68A, ILE68B, LEU112A, LEU112B, LEU116A, LEU116B, LEU119A, LEU119B, LEU43A, LEU43B, LEU44A, LEU44B, LEU51A, LEU51B, LEU52A, LEU52B, LEU58A, LEU58B, LEU61A, LEU61B, LEU64A, LEU64B, LEU65A, LEU65B, LYS54A, LYS54B, LYS77A, LYS77B, MET70A, MET70B, PHE53A, PHE53B, PHE66A, PHE66B, PHE67A, PHE67B, PHE75A, PHE75B, SER47A, SER47B, SER60A, SER60B, SER62A, SER62B, THR42A, THR42B, VAL120A, VAL120B, VAL48A, VAL48B, VAL76A, VAL76B
• A-C: ASN45A, ASN45C, GLU46A, GLU46C, LEU43A, LEU43C, LEU44A, LEU44C, SER47A, SER47C, THR42A, THR42C, VAL48A, VAL48C
• A-D: ALA55D, ARG37A, ARG37D, ARG49D, ARG93D, ASN31A, ASN32A, ASN45A, ASN50D, ASP92D, ASP9D, GLN56D, GLN85A, GLU46A, GLU73A, GLY10D, GLY29A, GLY40A, GLY41A, GLY57D, HIS18D, HIS74A, ILE78A, ILE79A, LEU35A, LEU43A, LEU44A, LEU51D, LEU52D, LYS13D, LYS54D, LYS77A, LYS86A, LYS87A, PHE53D, PRO-2A, PRO81A, SER82A, THR14D, THR15D, THR36A, THR42A, VAL30A, VAL34A, VAL48D, VAL76A, VAL89A
• B-C: ALA55B, ARG37B, ARG37C, ARG49B, ARG49C, ARG93B, ASN31C, ASN32C, ASN45C, ASN50B, ASP92B, ASP9B, GLN56B, GLN85C, GLU46B, GLU46C, GLU73C, GLY10B, GLY12B, GLY29C, GLY40C, GLY41C, GLY57B, HIS18B, HIS74C, ILE27C, ILE78C, ILE79C, LEU35C, LEU43C, LEU44C, LEU51B, LEU52B, LYS13B, LYS54B, LYS77C, LYS86C, LYS87C, PHE53B, PRO-2C, PRO81C, SER47B, SER82C, THR14B, THR15B, THR36C, THR42C, TYR155B, TYR28C, VAL30C, VAL34C, VAL48B, VAL76C, VAL89C
• B-D: ALA55B, ALA55D, GLN56B, GLN56D, GLY57B, GLY57D, LEU58B, LEU58D
• C-D: ALA55C, ALA55D, ALA69C, ALA69D, ARG49C, ARG49D, ARG71C, ARG71D, ARG72C, ARG72D, ASN45C, ASN45D, ASN50C, ASN50D, ASP109C, ASP109D, ASP118C, ASP118D, ASP59C, ASP59D, GLN115C, GLN115D, GLN56C, GLN56D, GLU46C, GLU46D, GLU63C, GLU63D, GLU73C, GLU73D, GLY57C, GLY57D, HIS74C, HIS74D, ILE108C, ILE108D, ILE121C, ILE121D, ILE68C, ILE68D, LEU112C, LEU112D, LEU116C, LEU116D, LEU119C, LEU119D, LEU43C, LEU43D, LEU44C, LEU44D, LEU51C, LEU51D, LEU52C, LEU52D, LEU58C, LEU58D, LEU61C, LEU61D, LEU64C, LEU64D, LEU65C, LEU65D, LYS54C, LYS54D, LYS77C, LYS77D, MET70C, MET70D, PHE53C, PHE53D, PHE66C, PHE66D, PHE67C, PHE67D, PHE75C, PHE75D, SER47C, SER47D, SER60C, SER60D, SER62C, SER62D, THR42C, THR42D, VAL120C, VAL120D, VAL48C, VAL48D, VAL76C, VAL76D