4OTB

4-oxalocrotonate tautomerase observed as an octodecamer, rhombohedral crystal form

• Total interactions analyzed: 66
• Total true interactions: 10
• Strongest Interaction:
  • Chains: H-I
  • Int. Res.: 18
  • Norm. En. per Res.: -7.1783
• 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	-70.404	-53.0789	-232.287	-355.7699	82	13	17	10749	2	16	20
A-E	-24.0376	-64.7712	-45.8952	-134.7041	20	2	0	1681	4	24	21
B-C	-15.8626	-10.5776	-48.8813	-75.3214	20	2	0	1723	4	26	21
C-D	-68.5601	-60.4907	-224.291	-353.3419	84	16	17	10897	2	16	20
E-F	-73.3076	-60.5456	-235.963	-369.8162	83	18	18	11077	2	16	19
G-H	-75.984	-43.142	-217.354	-336.4801	82	12	18	10323	2	16	19
G-K	-26.7219	-66.1172	-44.8134	-137.6525	20	3	0	1643	4	24	21
H-I	-27.2462	-57.6148	-44.3479	-129.2089	18	4	0	1626	4	22	21
I-J	-71.4074	-54.6653	-224.663	-350.7357	83	14	18	10806	2	16	19
K-L	-73.1311	-54.9885	-236.135	-364.2546	84	19	18	10884	2	16	20

Interface residues

• A-B: ALA26A, ALA26B, ALA33A, ALA33B, ALA3A, ALA3B, ARG11A, ARG11B, ARG21A, ARG21B, ARG29A, ARG29B, ARG39A, ARG39B, ASP32A, ASP32B, GLN15A, GLN15B, GLN4A, GLN4B, GLU14A, GLU14B, GLU17A, GLU17B, GLU22A, GLU22B, GLU25A, GLU25B, GLY51A, GLY51B, HIS6A, HIS6B, ILE20A, ILE20B, ILE27A, ILE27B, ILE2A, ILE2B, ILE41A, ILE41B, ILE42A, ILE42B, ILE52A, ILE52B, ILE5A, ILE5B, ILE7A, ILE7B, LEU19A, LEU19B, LEU31A, LEU31B, LEU8A, LEU8B, LYS16A, LYS16B, MET45A, MET45B, PHE50A, PHE50B, PRO1A, PRO1B, SER12A, SER12B, SER24A, SER24B, SER28A, SER28B, SER30A, SER30B, SER37A, SER37B, THR18A, THR18B, THR43A, THR43B, VAL23A, VAL23B, VAL38A, VAL38B, VAL40A, VAL40B
• A-E: ARG11A, ARG11E, ASP13A, ASP13E, GLN15A, GLN15E, GLU14A, GLU14E, GLU9A, GLU9E, GLY10A, GLY10E, LEU8A, LEU8E, LYS16A, LYS16E, LYS47A, LYS47E, SER12A, SER12E
• B-C: ARG11B, ARG11C, ASP13B, ASP13C, GLN15B, GLN15C, GLU14B, GLU14C, GLU9B, GLU9C, GLY10B, GLY10C, LEU8B, LEU8C, LYS16B, LYS16C, LYS47B, LYS47C, SER12B, SER12C
• C-D: ALA26C, ALA26D, ALA33C, ALA33D, ALA3C, ALA3D, ARG11C, ARG11D, ARG21C, ARG21D, ARG29C, ARG29D, ARG39C, ARG39D, ASP32C, ASP32D, GLN15C, GLN15D, GLN4C, GLN4D, GLU14C, GLU14D, GLU17C, GLU17D, GLU22C, GLU22D, GLU25C, GLU25D, GLY10C, GLY10D, GLY51C, GLY51D, HIS6C, HIS6D, ILE20C, ILE20D, ILE27C, ILE27D, ILE2C, ILE2D, ILE41C, ILE41D, ILE42C, ILE42D, ILE52C, ILE52D, ILE5C, ILE5D, ILE7C, ILE7D, LEU19C, LEU19D, LEU31C, LEU31D, LEU8C, LEU8D, LYS16C, LYS16D, MET45C, MET45D, PHE50C, PHE50D, PRO1C, PRO1D, SER12C, SER12D, SER24C, SER24D, SER28C, SER28D, SER30C, SER30D, SER37C, SER37D, THR18C, THR18D, THR43C, THR43D, VAL23C, VAL23D, VAL38C, VAL38D, VAL40C, VAL40D
• E-F: ALA26E, ALA26F, ALA33E, ALA33F, ALA3E, ALA3F, ARG11E, ARG11F, ARG21E, ARG21F, ARG29E, ARG29F, ARG39E, ARG39F, ASP32E, ASP32F, GLN15E, GLN15F, GLN4E, GLN4F, GLU14E, GLU14F, GLU17E, GLU17F, GLU22E, GLU22F, GLU25E, GLU25F, GLY10E, GLY51E, GLY51F, HIS6E, HIS6F, ILE20E, ILE20F, ILE27E, ILE27F, ILE2E, ILE2F, ILE41E, ILE41F, ILE42E, ILE42F, ILE52E, ILE52F, ILE5E, ILE5F, ILE7E, ILE7F, LEU19E, LEU19F, LEU31E, LEU31F, LEU8E, LEU8F, LYS16E, LYS16F, MET45E, MET45F, PHE50E, PHE50F, PRO1E, PRO1F, SER12E, SER12F, SER24E, SER24F, SER28E, SER28F, SER30E, SER30F, SER37E, SER37F, THR18E, THR18F, THR43E, THR43F, VAL23E, VAL23F, VAL38E, VAL38F, VAL40E, VAL40F
• G-H: ALA26G, ALA26H, ALA33G, ALA33H, ALA3G, ALA3H, ARG11G, ARG11H, ARG21G, ARG21H, ARG29G, ARG29H, ARG39G, ARG39H, ASP32G, ASP32H, GLN15G, GLN15H, GLN4G, GLN4H, GLU14G, GLU14H, GLU17G, GLU17H, GLU22G, GLU22H, GLU25G, GLU25H, GLY51G, GLY51H, HIS6G, HIS6H, ILE20G, ILE20H, ILE27G, ILE27H, ILE2G, ILE2H, ILE41G, ILE41H, ILE42G, ILE42H, ILE52G, ILE52H, ILE5G, ILE5H, ILE7G, ILE7H, LEU19G, LEU19H, LEU31G, LEU31H, LEU8G, LEU8H, LYS16G, LYS16H, MET45G, MET45H, PHE50G, PHE50H, PRO1G, PRO1H, SER12G, SER12H, SER24G, SER24H, SER28G, SER28H, SER30G, SER30H, SER37G, SER37H, THR18G, THR18H, THR43G, THR43H, VAL23G, VAL23H, VAL38G, VAL38H, VAL40G, VAL40H
• G-K: ARG11G, ARG11K, ASP13G, ASP13K, GLN15G, GLN15K, GLU14G, GLU14K, GLU9G, GLU9K, GLY10G, GLY10K, LEU8G, LEU8K, LYS16G, LYS16K, LYS47G, LYS47K, SER12G, SER12K
• H-I: ARG11H, ARG11I, ASP13H, ASP13I, GLN15H, GLN15I, GLU14H, GLU14I, GLU9H, GLU9I, GLY10H, GLY10I, LYS16H, LYS16I, LYS47H, LYS47I, SER12H, SER12I
• I-J: ALA26I, ALA26J, ALA33I, ALA33J, ALA3I, ALA3J, ARG11I, ARG11J, ARG21I, ARG21J, ARG29I, ARG29J, ARG39I, ARG39J, ASP32I, ASP32J, GLN15I, GLN15J, GLN4I, GLN4J, GLU14I, GLU14J, GLU17I, GLU17J, GLU22I, GLU22J, GLU25I, GLU25J, GLY10I, GLY51I, GLY51J, HIS6I, HIS6J, ILE20I, ILE20J, ILE27I, ILE27J, ILE2I, ILE2J, ILE41I, ILE41J, ILE42I, ILE42J, ILE52I, ILE52J, ILE5I, ILE5J, ILE7I, ILE7J, LEU19I, LEU19J, LEU31I, LEU31J, LEU8I, LEU8J, LYS16I, LYS16J, MET45I, MET45J, PHE50I, PHE50J, PRO1I, PRO1J, SER12I, SER12J, SER24I, SER24J, SER28I, SER28J, SER30I, SER30J, SER37I, SER37J, THR18I, THR18J, THR43I, THR43J, VAL23I, VAL23J, VAL38I, VAL38J, VAL40I, VAL40J
• K-L: ALA26K, ALA26L, ALA33K, ALA33L, ALA3K, ALA3L, ARG11K, ARG11L, ARG21K, ARG21L, ARG29K, ARG29L, ARG39K, ARG39L, ASP32K, ASP32L, GLN15K, GLN15L, GLN4K, GLN4L, GLU14K, GLU14L, GLU17K, GLU17L, GLU22K, GLU22L, GLU25K, GLU25L, GLY10K, GLY10L, GLY51K, GLY51L, HIS6K, HIS6L, ILE20K, ILE20L, ILE27K, ILE27L, ILE2K, ILE2L, ILE41K, ILE41L, ILE42K, ILE42L, ILE52K, ILE52L, ILE5K, ILE5L, ILE7K, ILE7L, LEU19K, LEU19L, LEU31K, LEU31L, LEU8K, LEU8L, LYS16K, LYS16L, MET45K, MET45L, PHE50K, PHE50L, PRO1K, PRO1L, SER12K, SER12L, SER24K, SER24L, SER28K, SER28L, SER30K, SER30L, SER37K, SER37L, THR18K, THR18L, THR43K, THR43L, VAL23K, VAL23L, VAL38K, VAL38L, VAL40K, VAL40L