3I0Y

crystal structure of a putative polyketide cyclase (xcc0381) from xanthomonas campestris pv. campestris at 1.50 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 99
  • Norm. En. per Res.: -4.3626
• 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	-55.2571	-62.98	-313.663	-431.9001	99	9	1	10299	15	20	26
A-C	0.0	-4.4973	-156.615	-161.1123	78	6	9	7117	0	26	30
A-D	0.0	0.0	-0.2891	-0.2891	6	0	0	67	0	4	3
B-C	0.0	-7.7012	-6.6823	-14.3835	10	0	0	376	0	6	6
B-D	0.0	10.8955	-0.2586	10.6369	3	0	0	22	0	4	3
C-D	-53.3743	-67.9009	-297.096	-418.3712	96	6	1	9919	14	20	24

Interface residues

• A-B: ALA112A, ALA112B, ALA74A, ALA74B, ALA83A, ALA83B, ARG117B, ARG123A, ARG123B, ARG45A, ARG45B, ARG6A, ARG6B, ARG80A, ARG80B, ASN126A, ASN126B, ASN129A, ASN129B, ASN41A, ASN41B, ASN75A, ASN75B, ASP115A, ASP115B, ASP39A, ASP39B, ASP69A, ASP69B, ASP76A, ASP76B, GLN131A, GLN131B, GLN42A, GLN42B, GLN7A, GLN7B, GLU132A, GLU132B, GLU3A, GLU77A, GLU77B, GLU84A, GLU84B, GLY110A, GLY110B, GLY111A, GLY111B, GLY43A, GLY43B, GLY78A, GLY78B, GLY82A, GLY82B, ILE134A, ILE134B, ILE70A, ILE70B, LEU108A, LEU108B, LEU130A, LEU130B, LEU40A, LEU40B, PHE113A, PHE113B, PHE114A, PHE114B, PRO109A, PRO109B, PRO44A, PRO44B, SER2A, THR10A, THR10B, THR125A, THR125B, THR73A, THR73B, THR79A, THR79B, TRP133A, TRP133B, TYR127A, TYR127B, TYR128A, TYR128B, TYR17A, TYR17B, TYR85A, TYR85B, VAL71A, VAL71B, VAL72A, VAL72B, VAL81A, VAL81B, VAL86A, VAL86B
• A-C: ALA15A, ALA15C, ALA19A, ALA19C, ALA27A, ALA27C, ALA30A, ALA30C, ALA33A, ALA33C, ALA9A, ALA9C, ARG117A, ARG117C, ARG22A, ARG22C, ARG49A, ARG49C, ARG68C, ARG6A, ARG6C, ARG8A, ARG8C, ASN21C, ASN5A, ASP118A, ASP118C, ASP24A, ASP24C, ASP26A, ASP26C, ASP69A, ASP69C, GLN120A, GLN120C, GLN14A, GLN14C, GLN7A, GLN7C, GLU18A, GLU18C, GLU34C, GLU3A, GLY119A, GLY119C, GLY11A, GLY11C, ILE121A, ILE121C, ILE70A, ILE70C, LEU12A, LEU12C, LEU29A, LEU29C, LEU32A, LEU32C, LEU67C, PHE31A, PHE31C, SER2A, SER4A, SER4C, THR10A, THR10C, THR73C, TRP25C, TYR16A, TYR16C, TYR17C, VAL116A, VAL116C, VAL13A, VAL13C, VAL71A, VAL71C, VAL72A, VAL72C
• A-D: ARG6A, ASN75D, ASP76D, GLN7A, GLU3A, GLU77D
• B-C: ARG6B, ARG6C, ARG8C, ASN5C, ASN75B, ASP76B, GLN7C, GLU3C, GLU77B, SER4C
• B-D: ARG6B, ASP76B, ASP76D
• C-D: ALA112C, ALA112D, ALA74C, ALA74D, ALA83C, ALA83D, ARG123C, ARG123D, ARG45C, ARG45D, ARG68C, ARG6C, ARG6D, ARG80C, ARG80D, ASN126C, ASN126D, ASN129C, ASN129D, ASN41C, ASN41D, ASN75C, ASN75D, ASP115C, ASP115D, ASP39C, ASP39D, ASP69C, ASP69D, ASP76C, ASP76D, GLN131C, GLN131D, GLN42C, GLN42D, GLN7C, GLN7D, GLU132C, GLU132D, GLU3C, GLU77C, GLU77D, GLU84C, GLU84D, GLY110C, GLY110D, GLY111C, GLY111D, GLY43C, GLY43D, GLY78C, GLY78D, GLY82C, GLY82D, ILE134C, ILE134D, ILE70C, ILE70D, LEU108C, LEU108D, LEU130C, LEU130D, LEU40C, LEU40D, PHE113C, PHE113D, PHE114C, PHE114D, PRO109C, PRO109D, PRO44C, PRO44D, THR10C, THR10D, THR125C, THR125D, THR73C, THR73D, THR79C, THR79D, TRP133C, TRP133D, TYR127C, TYR127D, TYR128C, TYR128D, TYR85C, TYR85D, VAL71C, VAL71D, VAL72C, VAL72D, VAL81C, VAL81D, VAL86C, VAL86D