1RO7

structural analysis of the sialyltransferase cstii from campylobacter jejuni in complex with a substrate analogue, cmp-3fneuac.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 70
  • Norm. En. per Res.: -4.1962
• Hub Node: A(2)

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	-41.1243	-13.0879	-217.535	-271.7472	71	5	5	8259	1	24	26
A-C	-54.703	-16.0835	-222.949	-293.7355	70	8	5	8344	1	23	21
B-D	-47.3788	-14.203	-212.169	-273.7507	75	6	5	7899	1	23	22
C-D	-48.8451	-14.3346	-225.016	-288.1957	74	5	5	8246	2	23	23

Interface residues

• A-B: ALA102A, ALA117B, ALA250A, ALA84B, ARG129B, ASN116B, ASN127B, ASN257A, ASN82B, ASN90A, ASP101A, ASP114B, ASP97A, GLN128B, GLN58A, GLN67A, GLN83B, GLU123B, GLU249A, GLU57A, GLU89B, GLY252A, HIS103A, HIS122B, HIS64A, HIS85B, ILE124B, ILE245A, ILE76A, LEU112B, LEU244A, LEU54A, LEU62A, LEU75A, LEU86B, LYS110B, LYS113B, LYS120B, LYS195B, LYS253A, LYS256A, LYS63A, LYS93A, LYS93B, PHE109B, PHE115B, PHE119B, PHE121B, PHE126B, PHE254A, PHE55A, PHE56A, PHE91A, PHE95A, PHE99A, PRO100A, PRO246A, SER247A, SER255A, THR61A, THR94A, TYR106B, TYR118B, TYR125B, TYR251A, TYR59A, TYR60A, TYR81B, TYR96A, TYR98A, VAL92B
• A-C: ALA102C, ALA117A, ALA250C, ALA84A, ARG129A, ASN116A, ASN127A, ASN257C, ASN82A, ASN90A, ASN90C, ASP101C, ASP114A, ASP97C, GLN128A, GLN58C, GLN67C, GLN83A, GLU123A, GLU249C, GLU57C, GLU89A, GLY187A, GLY252C, HIS103C, HIS122A, HIS64C, HIS85A, ILE124A, ILE186A, ILE245C, ILE76C, LEU112A, LEU244C, LEU62C, LEU86A, LYS110A, LYS113A, LYS120A, LYS253C, LYS256C, LYS63C, LYS93A, LYS93C, PHE109A, PHE115A, PHE119A, PHE121A, PHE126A, PHE254C, PHE55C, PHE56C, PHE95C, PHE99C, PRO100C, PRO246C, SER247C, SER255C, THR61C, THR94C, TYR106A, TYR118A, TYR125A, TYR185A, TYR251C, TYR59C, TYR60C, TYR81A, TYR96C, TYR98C
• B-D: ALA102B, ALA117D, ALA250B, ALA84D, ARG129D, ASN116D, ASN127D, ASN257B, ASN82D, ASN90B, ASP101B, ASP114D, ASP97B, GLN128D, GLN58B, GLN67B, GLN83D, GLU123D, GLU249B, GLU57B, GLU74B, GLU87D, GLU89D, GLY187D, GLY252B, HIS103B, HIS122D, HIS64B, HIS85D, ILE124D, ILE186D, ILE245B, ILE258B, ILE76B, LEU112D, LEU244B, LEU54B, LEU62B, LEU75B, LEU86D, LYS110D, LYS113D, LYS120D, LYS253B, LYS256B, LYS63B, LYS93B, LYS93D, PHE109D, PHE115D, PHE119D, PHE121D, PHE126D, PHE199D, PHE254B, PHE55B, PHE56B, PHE95B, PHE99B, PRO100B, PRO246B, SER247B, SER255B, THR61B, THR94B, TYR106D, TYR118D, TYR125D, TYR251B, TYR59B, TYR60B, TYR81D, TYR96B, TYR98B, VAL92D
• C-D: ALA102D, ALA117C, ALA250D, ALA84C, ARG129C, ASN116C, ASN127C, ASN257D, ASN82C, ASN90D, ASP101D, ASP114C, ASP97D, GLN128C, GLN58D, GLN67D, GLN83C, GLU123C, GLU249D, GLU57D, GLU74D, GLU87C, GLU89C, GLY187C, GLY252D, HIS103D, HIS122C, HIS64D, HIS85C, ILE124C, ILE245D, ILE258D, ILE76D, LEU112C, LEU244D, LEU54D, LEU62D, LEU75D, LEU86C, LYS110C, LYS113C, LYS120C, LYS253D, LYS256D, LYS63D, LYS93C, LYS93D, PHE109C, PHE115C, PHE119C, PHE121C, PHE126C, PHE199C, PHE254D, PHE55D, PHE56D, PHE91D, PHE95D, PHE99D, PRO100D, PRO246D, SER247D, SER255D, THR61D, THR94D, TYR106C, TYR118C, TYR125C, TYR251D, TYR59D, TYR60D, TYR81C, TYR96D, TYR98D