2V21

crystal structure of the t. thermophilus dodecin in complex with prebound fmn

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 57
  • Norm. En. per Res.: -4.8384
• 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	-56.7496	-6.4376	-177.916	-241.1033	57	11	7	6903	1	17	16
A-C	-58.6334	-6.7895	-181.567	-246.9899	59	10	7	6954	1	17	17
B-C	-58.6145	-6.6225	-184.995	-250.232	57	12	7	6956	1	17	17
B-F	-108.9198	-23.276	-143.595	-275.7908	57	10	6	5986	4	29	31
C-E	-90.4483	-24.0696	-144.055	-258.5729	57	9	6	5942	4	29	30
C-F	0.0	0.0	-7.3339	-7.3339	10	1	0	220	0	4	3
D-E	-60.4926	-4.2401	-184.779	-249.5117	58	10	7	7076	1	17	17
D-F	-61.1502	-2.3681	-190.977	-254.4952	57	9	7	7082	1	12	16
E-F	-61.5936	-5.6516	-184.329	-251.5742	57	9	7	6988	1	18	17

Interface residues

• A-B: ALA20A, ALA20B, ALA21A, ALA21B, ALA24A, ALA25A, ALA27A, ALA29A, ALA51B, ARG30A, ARG45B, ASP37A, GLN23A, GLN57B, GLU15B, GLU16B, GLU19A, GLU19B, GLU40A, GLU43A, GLU43B, GLU50B, GLU55B, GLU61A, GLY17A, GLY17B, GLY46B, GLY49B, GLY52B, GLY63A, HIS35A, ILE22A, ILE44A, ILE44B, ILE48B, LEU10A, LEU18A, LEU18B, LEU26A, LEU33A, LEU36A, LEU60A, LYS42A, LYS42B, LYS54B, LYS7A, PHE39A, PHE64A, THR47B, TRP38A, TYR56B, VAL41A, VAL41B, VAL53B, VAL58A, VAL58B, VAL62A
• A-C: ALA20A, ALA20C, ALA21A, ALA21C, ALA24C, ALA25C, ALA27C, ALA29C, ALA51A, ARG30C, ARG34C, ARG45A, ASP37C, GLN23C, GLN57A, GLU15A, GLU16A, GLU19A, GLU19C, GLU40C, GLU43A, GLU43C, GLU50A, GLU55A, GLU61C, GLY17A, GLY17C, GLY46A, GLY49A, GLY52A, GLY63C, HIS35C, ILE22C, ILE44A, ILE44C, ILE48A, LEU10C, LEU18A, LEU18C, LEU26C, LEU33C, LEU36C, LEU60C, LYS42A, LYS42C, LYS54A, LYS7C, PHE39C, PHE64C, SER14A, THR47A, TRP38C, TYR56A, VAL41A, VAL41C, VAL53A, VAL58A, VAL58C, VAL62C
• B-C: ALA20B, ALA20C, ALA21B, ALA21C, ALA24B, ALA25B, ALA27B, ALA29B, ALA51C, ARG30B, ARG45C, ASP37B, GLN23B, GLN57C, GLU15C, GLU16C, GLU19B, GLU19C, GLU40B, GLU43B, GLU43C, GLU50C, GLU55C, GLU61B, GLY17B, GLY17C, GLY46C, GLY49C, GLY52C, GLY63B, HIS35B, ILE22B, ILE44B, ILE44C, ILE48C, LEU10B, LEU18B, LEU18C, LEU26B, LEU33B, LEU36B, LEU60B, LYS42B, LYS42C, LYS54C, LYS7B, PHE39B, PHE64B, THR47C, TRP38B, TYR56C, VAL41B, VAL41C, VAL53C, VAL58B, VAL58C, VAL62B
• B-F: ALA20F, ALA21F, ALA24F, ALA25F, ALA27F, ALA29F, ARG28F, ARG45F, ARG65B, GLN23F, GLN57F, GLU15F, GLU16F, GLU40B, GLU43F, GLU55F, GLU61B, GLU61F, GLU67B, GLU68B, GLU9B, GLU9F, GLY12F, GLY2B, GLY63B, ILE22F, LEU10F, LEU26F, LEU33F, LEU60F, LEU66B, LYS31F, LYS3B, LYS42B, LYS42F, LYS54F, LYS6B, LYS6F, LYS7B, LYS7F, PHE64B, PHE64F, SER14F, THR13F, THR32F, THR47F, TRP38B, TYR56F, TYR5B, VAL11F, VAL4B, VAL58F, VAL59F, VAL62B, VAL62F, VAL8B, VAL8F
• C-E: ALA20C, ALA21C, ALA24C, ALA25C, ALA27C, ALA29C, ARG28C, ARG45C, ARG65E, GLN23C, GLN57C, GLU15C, GLU16C, GLU40E, GLU43C, GLU55C, GLU61C, GLU61E, GLU67E, GLU68E, GLU9C, GLU9E, GLY12C, GLY2E, GLY63E, ILE22C, LEU10C, LEU26C, LEU33C, LEU60C, LEU66E, LYS31C, LYS3E, LYS42C, LYS42E, LYS54C, LYS6C, LYS6E, LYS7C, LYS7E, PHE64C, PHE64E, SER14C, THR13C, THR32C, THR47C, TRP38E, TYR56C, TYR5E, VAL11C, VAL4E, VAL58C, VAL59C, VAL62C, VAL62E, VAL8C, VAL8E
• C-F: ARG45C, ARG45F, GLN57C, GLN57F, GLU43C, GLU43F, VAL11C, VAL11F, VAL59C, VAL59F
• D-E: ALA20D, ALA20E, ALA21D, ALA21E, ALA24D, ALA25D, ALA27D, ALA29D, ALA51E, ARG30D, ARG45E, ASP37D, GLN23D, GLN57E, GLU15E, GLU16E, GLU19D, GLU19E, GLU40D, GLU43D, GLU43E, GLU50E, GLU55E, GLU61D, GLY17D, GLY17E, GLY46E, GLY49E, GLY52E, GLY63D, HIS35D, ILE22D, ILE44D, ILE44E, ILE48E, LEU10D, LEU18D, LEU18E, LEU26D, LEU33D, LEU36D, LEU60D, LYS42D, LYS42E, LYS54E, LYS7D, PHE39D, PHE64D, SER14E, THR47E, TRP38D, TYR56E, VAL41D, VAL41E, VAL53E, VAL58D, VAL58E, VAL62D
• D-F: ALA20D, ALA20F, ALA21D, ALA21F, ALA24F, ALA25F, ALA27F, ALA29F, ALA51D, ARG30F, ARG45D, ASP37F, GLN23F, GLN57D, GLU15D, GLU16D, GLU19D, GLU19F, GLU40F, GLU43D, GLU43F, GLU50D, GLU55D, GLU61F, GLY17D, GLY17F, GLY46D, GLY49D, GLY52D, GLY63F, HIS35F, ILE22F, ILE44D, ILE44F, ILE48D, LEU10F, LEU18D, LEU18F, LEU26F, LEU33F, LEU36F, LEU60F, LYS42D, LYS42F, LYS54D, LYS7F, PHE39F, PHE64F, THR47D, TRP38F, TYR56D, VAL41D, VAL41F, VAL53D, VAL58D, VAL58F, VAL62F
• E-F: ALA20E, ALA20F, ALA21E, ALA21F, ALA24E, ALA25E, ALA27E, ALA29E, ALA51F, ARG30E, ARG45F, ASP37E, GLN23E, GLN57F, GLU15F, GLU16F, GLU19E, GLU19F, GLU40E, GLU43E, GLU43F, GLU50F, GLU55F, GLU61E, GLY17E, GLY17F, GLY46F, GLY49F, GLY52F, GLY63E, HIS35E, ILE22E, ILE44E, ILE44F, ILE48F, LEU10E, LEU18E, LEU18F, LEU26E, LEU33E, LEU36E, LEU60E, LYS42E, LYS42F, LYS54F, LYS7E, PHE39E, PHE64E, THR47F, TRP38E, TYR56F, VAL41E, VAL41F, VAL53F, VAL58E, VAL58F, VAL62E