1V9B

crystal structure of pyrococcus horikoshii cuta1 complexed with co2+

• Total interactions analyzed: 15
• Total true interactions: 13
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 96
  • Norm. En. per Res.: -4.6183
• Hub Node: A(4)

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	-105.1599	35.5009	-352.134	-421.7929	96	11	13	13419	1	53	47
A-C	-100.2003	34.2627	-310.356	-376.2935	96	16	13	12543	0	50	53
A-E	-11.0302	13.9335	-44.9597	-42.0564	29	1	0	1708	3	36	32
A-F	-9.486	16.7748	-11.4449	-4.1561	11	0	0	473	2	14	10
B-C	-107.1901	15.6056	-351.776	-443.3605	96	11	13	13279	3	51	50
B-D	0.0	41.7495	-19.5503	22.1992	8	1	0	658	2	8	11
B-E	-41.6693	26.8709	-58.8917	-73.6901	29	5	0	1964	4	29	30
C-D	-43.5392	27.4608	-61.8047	-77.8832	29	6	0	2070	3	28	28
C-E	-7.6763	49.3133	-30.2976	11.3394	20	7	0	1223	1	28	23
C-F	-23.5017	5.3631	-51.7965	-69.9351	34	3	0	2059	3	38	37
D-E	-94.4275	39.6154	-352.763	-407.5751	96	12	14	13181	1	51	48
D-F	-79.5718	13.8248	-326.103	-391.85	94	19	15	12858	1	47	49
E-F	-116.429	6.2467	-347.707	-457.8893	100	13	14	13223	4	52	47

Interface residues

• A-B: ALA14B, ALA28B, ALA30B, ALA37A, ALA53A, ALA53B, ALA79A, ARG25B, ARG33A, ARG33B, ARG36A, ARG82A, ASN31B, ASN89B, ASP48A, ASP76A, ASP84A, ASP84B, ASP86A, ASP86B, ASP87B, ASP91B, GLU15B, GLU24B, GLU34A, GLU34B, GLU42A, GLU46A, GLU47A, GLU50A, GLU59A, GLU63A, GLU67A, GLU90B, GLU98B, GLU99B, GLY43A, GLY52A, GLY52B, HIS35A, HIS35B, HIS73A, ILE27B, ILE2A, ILE2B, ILE3A, ILE3B, ILE45A, ILE54A, ILE54B, ILE69A, ILE80A, ILE81A, ILE83A, ILE83B, LEU21B, LEU22B, LEU26B, LEU32B, LEU55B, LEU93B, LEU96B, LYS101B, LYS19B, LYS23B, LYS44A, LYS49A, LYS56B, LYS66A, LYS70A, LYS94B, MET1B, PHE38A, PRO78A, THR100B, THR20B, THR57B, THR6A, THR7A, TRP11B, TRP40A, TRP41A, TRP62A, TRP95B, TYR39A, TYR5A, TYR5B, TYR75A, TYR92B, VAL18B, VAL4A, VAL51B, VAL77A, VAL85A, VAL85B, VAL88B
• A-C: ALA14A, ALA28A, ALA30A, ALA37C, ALA53A, ALA53C, ALA79C, ARG25A, ARG33A, ARG33C, ARG36C, ARG82C, ASN31A, ASN89A, ASP48C, ASP76C, ASP84A, ASP84C, ASP86A, ASP86C, ASP87A, ASP91A, GLU15A, GLU24A, GLU34A, GLU34C, GLU46C, GLU47C, GLU50C, GLU59C, GLU63C, GLU67C, GLU90A, GLU99A, GLY43C, GLY52A, GLY52C, HIS35A, HIS35C, HIS73C, ILE27A, ILE2A, ILE2C, ILE3A, ILE3C, ILE45C, ILE54A, ILE54C, ILE69C, ILE80C, ILE81C, ILE83A, ILE83C, LEU21A, LEU22A, LEU26A, LEU32A, LEU55A, LEU93A, LEU96A, LYS16A, LYS19A, LYS23A, LYS44C, LYS49C, LYS56A, LYS66C, LYS70C, LYS94A, MET1A, PHE38C, PHE8C, PRO78C, THR100A, THR20A, THR57A, THR6C, THR7C, TRP11A, TRP40C, TRP41C, TRP62C, TRP95A, TYR39C, TYR5A, TYR5C, TYR75C, TYR92A, VAL18A, VAL4C, VAL51A, VAL51C, VAL77C, VAL85A, VAL85C, VAL88A
• A-E: ALA14A, ALA37E, ARG33A, ARG36A, ARG36E, ASP10A, ASP10E, ASP48E, GLU12A, GLU15A, GLU34A, GLU34E, GLU46E, GLU47E, GLU50E, HIS35A, ILE45E, LEU32A, LYS19A, LYS44E, LYS49A, LYS49E, PHE38E, PRO9A, PRO9E, TRP11A, TYR39E, TYR75E, VAL51A
• A-F: GLU12A, GLU12F, GLU15A, GLU15F, LYS19A, LYS19F, LYS23F, SER13A, SER13F, TRP11A, TRP11F
• B-C: ALA14C, ALA28C, ALA30C, ALA37B, ALA53B, ALA53C, ALA79B, ARG25C, ARG33B, ARG33C, ARG36B, ARG82B, ASN31C, ASN89C, ASP48B, ASP76B, ASP84B, ASP84C, ASP86B, ASP86C, ASP87C, ASP91C, GLU15C, GLU24C, GLU34B, GLU34C, GLU42B, GLU46B, GLU47B, GLU50B, GLU59B, GLU63B, GLU67B, GLU90C, GLU98C, GLU99C, GLY43B, GLY52B, GLY52C, HIS35B, HIS35C, HIS73B, ILE27C, ILE2B, ILE2C, ILE3B, ILE3C, ILE45B, ILE54B, ILE54C, ILE69B, ILE80B, ILE81B, ILE83B, ILE83C, LEU21C, LEU22C, LEU26C, LEU32C, LEU55C, LEU93C, LEU96C, LYS101C, LYS19C, LYS23C, LYS44B, LYS49B, LYS56C, LYS66B, LYS70B, LYS94C, MET1C, PHE38B, PRO78B, THR100C, THR20C, THR57C, THR6B, THR7B, TRP11C, TRP40B, TRP41B, TRP62B, TRP95C, TYR39B, TYR5B, TYR5C, TYR75B, TYR92C, VAL18C, VAL4B, VAL51C, VAL77B, VAL85B, VAL85C, VAL88C
• B-D: ARG36B, ARG36D, GLU47B, GLU47D, LYS49B, LYS49D, PHE38B, PHE38D
• B-E: ALA14B, ALA14E, ARG33B, ARG36B, ASP10B, ASP10E, ASP48B, GLU12B, GLU12E, GLU15E, GLU34B, GLU34E, GLU47B, GLU50B, HIS35B, LEU32E, LYS16E, LYS19E, LYS49B, LYS49E, PHE8B, PRO9B, PRO9E, SER13B, SER13E, TRP11B, TRP11E, VAL51B, VAL51E
• C-D: ALA14C, ALA14D, ARG33D, ARG36D, ASP10C, ASP10D, ASP48D, GLU12C, GLU12D, GLU15C, GLU34C, GLU34D, GLU47D, GLU50D, HIS35D, LEU32C, LYS16C, LYS19C, LYS49C, LYS49D, PHE8D, PRO9C, PRO9D, SER13C, SER13D, TRP11C, TRP11D, VAL51C, VAL51D
• C-E: ALA37E, ARG33C, ARG33E, ARG36C, ARG36E, ASP48E, GLU34C, GLU34E, GLU47C, GLU47E, GLU50E, HIS35C, HIS35E, LYS49C, LYS49E, PHE38C, PHE38E, TRP11C, TRP11E, VAL51C
• C-F: ALA37C, ARG33F, ARG36C, ARG36F, ASP10C, ASP10F, ASP48C, GLU12C, GLU12F, GLU15F, GLU34C, GLU34F, GLU46C, GLU47C, GLU50C, HIS35F, ILE45C, LEU32F, LYS44C, LYS49C, LYS49F, PHE38C, PHE8C, PRO74C, PRO9C, PRO9F, SER13C, SER13F, TRP11C, TRP11F, TRP41C, TYR39C, TYR75C, VAL51F
• D-E: ALA14E, ALA28E, ALA30E, ALA37D, ALA53D, ALA53E, ALA79D, ARG25E, ARG33D, ARG33E, ARG36D, ARG82D, ASN31E, ASN89E, ASP48D, ASP76D, ASP84D, ASP84E, ASP86D, ASP86E, ASP87E, ASP91E, GLU15E, GLU24E, GLU34D, GLU34E, GLU42D, GLU46D, GLU47D, GLU50D, GLU59D, GLU63D, GLU67D, GLU90E, GLU98E, GLU99E, GLY43D, GLY52D, GLY52E, HIS35D, HIS35E, HIS73D, ILE27E, ILE2D, ILE2E, ILE3D, ILE3E, ILE45D, ILE54D, ILE54E, ILE69D, ILE80D, ILE81D, ILE83D, ILE83E, LEU21E, LEU22E, LEU26E, LEU32E, LEU55E, LEU93E, LEU96E, LYS101E, LYS19E, LYS23E, LYS44D, LYS49D, LYS56E, LYS66D, LYS70D, LYS94E, MET1E, PHE38D, PRO78D, THR100E, THR20E, THR57E, THR6D, THR7D, TRP11E, TRP40D, TRP41D, TRP62D, TRP95E, TYR39D, TYR5D, TYR5E, TYR75D, TYR92E, VAL18E, VAL4D, VAL51E, VAL77D, VAL85D, VAL85E, VAL88E
• D-F: ALA14D, ALA28D, ALA30D, ALA37F, ALA53D, ALA53F, ALA79F, ARG25D, ARG33D, ARG33F, ARG36F, ARG82F, ASN31D, ASN89D, ASP48F, ASP76F, ASP84D, ASP84F, ASP86D, ASP86F, ASP87D, ASP91D, GLU12D, GLU15D, GLU24D, GLU34D, GLU34F, GLU42F, GLU46F, GLU47F, GLU50F, GLU63F, GLU67F, GLU90D, GLU99D, GLY43F, GLY52D, GLY52F, HIS35D, HIS35F, ILE27D, ILE2D, ILE2F, ILE3D, ILE3F, ILE45F, ILE54D, ILE54F, ILE69F, ILE80F, ILE81F, ILE83D, ILE83F, LEU21D, LEU22D, LEU26D, LEU32D, LEU55D, LEU93D, LEU96D, LYS16D, LYS19D, LYS23D, LYS44F, LYS49F, LYS56D, LYS66F, LYS70F, LYS94D, MET1D, PHE38F, PRO78F, THR100D, THR20D, THR57D, THR6F, THR7F, TRP11D, TRP40F, TRP41F, TRP62F, TRP95D, TYR39F, TYR5D, TYR5F, TYR75F, TYR92D, VAL18D, VAL4F, VAL51D, VAL77F, VAL85D, VAL85F, VAL88D
• E-F: ALA14F, ALA28F, ALA30F, ALA37E, ALA53E, ALA53F, ALA79E, ARG25F, ARG33E, ARG33F, ARG36E, ARG82E, ASN31F, ASN89F, ASP48E, ASP76E, ASP84E, ASP84F, ASP86E, ASP86F, ASP87F, ASP91F, GLU12F, GLU15F, GLU24F, GLU34E, GLU34F, GLU42E, GLU46E, GLU47E, GLU50E, GLU59E, GLU63E, GLU67E, GLU90F, GLU98F, GLU99F, GLY43E, GLY52E, GLY52F, HIS35E, HIS35F, HIS73E, ILE27F, ILE2E, ILE2F, ILE3E, ILE3F, ILE45E, ILE54E, ILE54F, ILE69E, ILE80E, ILE81E, ILE83E, ILE83F, LEU21F, LEU22F, LEU26F, LEU32F, LEU55F, LEU93F, LEU96F, LYS101F, LYS16F, LYS19F, LYS23F, LYS44E, LYS49E, LYS56F, LYS66E, LYS70E, LYS94F, MET1F, PHE38E, PHE8E, PRO78E, THR100F, THR20F, THR57F, THR6E, THR7E, TRP11F, TRP40E, TRP41E, TRP62E, TRP95F, TYR39E, TYR5E, TYR5F, TYR75E, TYR92F, VAL18F, VAL4E, VAL51E, VAL51F, VAL77E, VAL85E, VAL85F, VAL88F