1ORR

crystal structure of cdp-tyvelose 2-epimerase complexed with nad and cdp

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 77
  • Norm. En. per Res.: -4.3196
• 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	-67.4001	-88.2172	-178.801	-334.4183	80	7	1	6026	10	37	35
A-C	-53.5635	23.1488	-324.325	-354.7396	118	8	9	12624	2	33	37
A-D	0.0	0.7291	-3.4469	-2.7177	20	0	0	428	0	6	9
B-C	0.0	0.6439	-2.5539	-1.91	17	0	0	326	0	6	9
B-D	-65.7907	23.1707	-335.691	-378.311	121	11	9	13082	2	30	37
C-D	-67.9757	-83.6564	-180.98	-332.6121	77	7	1	5804	10	38	35

Interface residues

• A-B: ALA39A, ALA39B, ARG36A, ARG36B, ARG60A, ARG60B, ARG67A, ARG67B, ASN33A, ASN33B, ASN61A, ASN61B, ASN63A, ASN63B, ASN92A, ASN92B, ASP32A, ASP32B, ASP41A, ASP41B, ASP58A, ASP58B, ASP64A, ASP64B, ASP91A, ASP91B, ASP96A, ASP96B, CYS94A, CYS94B, GLU53A, GLU98A, GLU98B, GLY38A, GLY57A, GLY57B, HIS44A, HIS44B, HIS56A, HIS56B, ILE59A, ILE59B, ILE90A, ILE90B, ILE99A, ILE99B, LEU34A, LEU34B, LEU43A, LEU43B, LYS37A, LYS37B, LYS62A, LYS62B, LYS71A, LYS71B, MET95A, MET95B, PHE31A, PHE31B, PHE52A, PHE54A, PHE54B, PHE97A, PHE97B, PRO93A, PRO93B, SER35A, SER35B, SER47A, SER47B, SER89A, THR40A, THR40B, THR87B, THR88A, THR88B, VAL55A, VAL65A, VAL65B
• A-C: ALA171A, ALA171C, ALA172A, ALA172C, ARG112A, ARG112C, ARG181A, ARG181C, ARG191A, ARG191C, ASN100A, ASN100C, ASN106A, ASN106C, ASN92A, ASN92C, ASP131A, ASP131C, ASP160A, ASP160C, ASP173A, ASP173C, ASP178A, ASP178C, ASP91A, ASP91C, ASP96A, ASP96C, CYS167A, CYS167C, CYS94A, CYS94C, GLN113A, GLN113C, GLN158A, GLN158C, GLN174A, GLN174C, GLU109A, GLU109C, GLU155A, GLU155C, GLU300A, GLU300C, GLU98A, GLU98C, GLY102A, GLY102C, GLY103A, GLY103C, GLY130A, GLY130C, GLY166A, GLY166C, GLY170A, GLY170C, GLY184C, HIS162A, HIS162C, ILE182A, ILE182C, ILE90A, ILE90C, ILE99C, LEU105A, LEU105C, LEU108A, LEU108C, LEU159A, LEU159C, LEU177A, LEU177C, LYS169A, LYS169C, LYS62A, LYS62C, MET176A, MET176C, MET86A, MET95A, MET95C, PHE161A, PHE161C, PHE183A, PHE183C, PHE97A, PHE97C, PRO164A, PRO164C, PRO93A, PRO93C, SER156A, SER156C, SER163A, SER163C, SER168A, SER168C, SER301A, SER89A, SER89C, THR104A, THR104C, THR157A, THR157C, THR88A, THR88C, TYR129A, TYR129C, TYR165A, TYR165C, TYR175A, TYR175C, TYR179A, TYR179C, VAL101A, VAL101C, VAL128A, VAL128C
• A-D: ARG112A, ARG112D, ARG67A, ARG67D, ASN61A, ASN63A, ASN63D, ASP64A, GLN113A, GLN113D, GLU109A, GLU109D, LYS62A, LYS62D, THR66A, THR66D, THR70A, THR70D, TYR114A, TYR114D
• B-C: ARG112B, ARG112C, ARG67B, ARG67C, ASN63B, ASN63C, GLN113B, GLN113C, GLU109B, GLU109C, LYS62B, LYS62C, THR66B, THR66C, THR70C, TYR114B, TYR114C
• B-D: ALA171B, ALA171D, ALA172B, ALA172D, ARG112B, ARG112D, ARG181B, ARG181D, ARG191B, ARG191D, ASN100B, ASN100D, ASN106B, ASN106D, ASN92B, ASN92D, ASP131B, ASP131D, ASP154D, ASP160B, ASP160D, ASP173B, ASP173D, ASP178B, ASP178D, ASP302B, ASP302D, ASP91B, ASP91D, ASP96B, ASP96D, CYS167B, CYS167D, CYS94B, CYS94D, GLN113B, GLN113D, GLN158B, GLN158D, GLN174B, GLN174D, GLU109B, GLU109D, GLU155B, GLU155D, GLU300B, GLU300D, GLU98B, GLU98D, GLY102B, GLY102D, GLY103B, GLY103D, GLY130B, GLY130D, GLY166B, GLY166D, GLY170B, GLY170D, HIS162B, HIS162D, ILE182B, ILE182D, ILE90B, ILE90D, LEU105B, LEU105D, LEU108B, LEU108D, LEU159B, LEU159D, LEU177B, LEU177D, LYS169B, LYS169D, LYS62B, LYS62D, MET176B, MET176D, MET86B, MET86D, MET95B, MET95D, PHE161B, PHE161D, PHE183B, PHE183D, PHE97B, PHE97D, PRO164B, PRO164D, PRO93B, PRO93D, SER156B, SER156D, SER163B, SER163D, SER168B, SER168D, SER301B, SER301D, SER89B, SER89D, THR104B, THR104D, THR157B, THR157D, THR88B, THR88D, TYR129B, TYR129D, TYR165B, TYR165D, TYR175B, TYR175D, TYR179B, TYR179D, VAL101B, VAL101D, VAL128B, VAL128D
• C-D: ALA39C, ALA39D, ARG36C, ARG36D, ARG60C, ARG60D, ARG67C, ARG67D, ASN33C, ASN33D, ASN61C, ASN61D, ASN63C, ASN63D, ASN92C, ASN92D, ASP32C, ASP32D, ASP41C, ASP41D, ASP58C, ASP58D, ASP64C, ASP64D, ASP91C, ASP91D, ASP96C, ASP96D, CYS94C, CYS94D, GLU98C, GLU98D, GLY38D, GLY57C, GLY57D, HIS44C, HIS44D, HIS56C, HIS56D, ILE59C, ILE59D, ILE90C, ILE90D, ILE99C, ILE99D, LEU34C, LEU34D, LEU43C, LEU43D, LYS37C, LYS37D, LYS62C, LYS62D, LYS71C, LYS71D, MET95C, MET95D, PHE31C, PHE31D, PHE54C, PHE54D, PHE97C, PHE97D, PRO93C, PRO93D, SER35C, SER35D, SER89C, SER89D, THR40C, THR40D, THR66C, THR66D, THR88C, THR88D, VAL65C, VAL65D