3I98

x-ray crystallographic structure of inorganic pyrophosphatase at 298k from archaeon thermococcus thioreducens

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 79
  • Norm. En. per Res.: -3.3052
• 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-C	-51.7582	12.2287	-209.293	-248.8225	78	12	9	9155	0	29	16
A-E	-58.0833	-0.0249	-203.0	-261.1082	79	7	9	8475	2	28	16
B-D	-52.4468	3.9058	-203.31	-251.851	81	10	9	8749	2	29	16
B-F	-66.3582	8.2303	-205.811	-263.9389	81	10	9	8862	1	29	16
C-E	-43.5468	15.2208	-200.269	-228.595	79	8	9	8705	0	29	16
D-F	-51.3793	7.8914	-197.151	-240.6389	79	9	9	8374	1	28	16

Interface residues

• A-C: ALA19A, ALA88A, ARG28C, ARG44C, ARG77A, ASN117A, ASN29C, ASN2A, ASP113A, ASP34C, ASP43C, ASP55A, GLN144C, GLU112A, GLU22C, GLU32C, GLU6A, GLU78A, GLU87A, GLU8A, GLY10A, GLY26C, GLY38A, GLY38C, ILE21A, ILE23C, ILE75A, ILE85A, ILE86A, LEU143C, LEU20A, LEU33C, LEU39C, LEU40C, LEU42C, LEU46C, LEU7A, LEU83A, LEU83C, LYS25C, LYS30C, LYS35C, LYS36C, LYS41C, MET1A, MET1C, MET76A, PHE116A, PHE4A, PHE50C, PHE51C, PRO110A, PRO114A, PRO11A, PRO24C, PRO3A, PRO49C, PRO60A, PRO79A, PRO79C, PRO82A, PRO82C, SER27C, SER48C, THR37C, THR84A, TYR115A, TYR18A, TYR31C, TYR47C, TYR52C, TYR81A, TYR81C, VAL111A, VAL45C, VAL74A, VAL80A, VAL80C
• A-E: ALA19E, ALA88E, ARG28A, ARG44A, ARG77E, ASN117E, ASN29A, ASN2E, ASP113E, ASP34A, ASP43A, ASP55A, ASP55E, GLN144A, GLU112E, GLU22A, GLU32A, GLU6E, GLU78E, GLU87E, GLU8E, GLY26A, GLY38A, GLY38E, HIS5E, ILE21A, ILE21E, ILE23A, ILE75E, ILE85E, ILE86E, LEU143A, LEU20E, LEU33A, LEU33E, LEU39A, LEU40A, LEU42A, LEU46A, LEU7E, LEU83A, LEU83E, LYS25A, LYS30A, LYS36A, LYS41A, MET1A, MET76E, PHE116E, PHE4E, PHE50A, PHE51A, PRO110E, PRO114E, PRO11E, PRO24A, PRO3E, PRO49A, PRO60E, PRO79A, PRO79E, PRO82A, PRO82E, SER27A, SER48A, THR37A, THR84E, TYR115E, TYR18E, TYR31A, TYR47A, TYR52A, TYR81A, TYR81E, VAL111E, VAL45A, VAL74E, VAL80A, VAL80E
• B-D: ALA19B, ALA88B, ARG28D, ARG44D, ARG77B, ASN117B, ASN29D, ASN2B, ASN2D, ASP113B, ASP34D, ASP43D, ASP55B, GLN144D, GLU112B, GLU22D, GLU32D, GLU6B, GLU78B, GLU87B, GLU8B, GLY26D, GLY38B, GLY38D, HIS5B, ILE21B, ILE23D, ILE75B, ILE85B, ILE86B, LEU143D, LEU20B, LEU33B, LEU33D, LEU39D, LEU40D, LEU42D, LEU46D, LEU7B, LEU83B, LEU83D, LYS25D, LYS30D, LYS35D, LYS36D, LYS41D, MET1B, MET1D, MET76B, PHE116B, PHE4B, PHE50D, PHE51D, PRO110B, PRO114B, PRO11B, PRO24D, PRO3B, PRO3D, PRO49D, PRO60B, PRO79B, PRO79D, PRO82B, PRO82D, SER27D, SER48D, THR37D, THR84B, TYR115B, TYR18B, TYR31D, TYR47D, TYR52D, TYR81B, TYR81D, VAL111B, VAL45D, VAL74B, VAL80B, VAL80D
• B-F: ALA19F, ALA88F, ARG28B, ARG44B, ARG77F, ASN117F, ASN29B, ASN2B, ASN2F, ASP113F, ASP34B, ASP43B, ASP55F, GLN144B, GLU112F, GLU22B, GLU32B, GLU6F, GLU78F, GLU87F, GLU8F, GLY26B, GLY38B, GLY38F, HIS5F, ILE21F, ILE23B, ILE75F, ILE85F, ILE86F, LEU143B, LEU20F, LEU33B, LEU33F, LEU39B, LEU40B, LEU42B, LEU46B, LEU7F, LEU83B, LEU83F, LYS25B, LYS30B, LYS35B, LYS36B, LYS41B, MET1B, MET1F, MET76F, PHE116F, PHE4F, PHE50B, PHE51B, PRO110F, PRO114F, PRO11F, PRO24B, PRO3F, PRO49B, PRO60F, PRO79B, PRO79F, PRO82B, PRO82F, SER27B, SER48B, THR37B, THR84F, TYR115F, TYR18F, TYR31B, TYR47B, TYR52B, TYR81B, TYR81F, VAL111F, VAL16F, VAL45B, VAL74F, VAL80B, VAL80F
• C-E: ALA19C, ALA88C, ARG28E, ARG44E, ARG77C, ASN117C, ASN29E, ASN2C, ASN2E, ASP113C, ASP34E, ASP43E, ASP55C, GLN144E, GLU112C, GLU22E, GLU32E, GLU6C, GLU78C, GLU87C, GLU8C, GLY26E, GLY38C, GLY38E, ILE21C, ILE23E, ILE75C, ILE85C, ILE86C, LEU143E, LEU20C, LEU33C, LEU33E, LEU39E, LEU40E, LEU42E, LEU46E, LEU7C, LEU83C, LEU83E, LYS25E, LYS30E, LYS35E, LYS36E, LYS41E, MET1C, MET76C, PHE116C, PHE4C, PHE50E, PHE51E, PRO110C, PRO114C, PRO11C, PRO24C, PRO24E, PRO3C, PRO49E, PRO60C, PRO79C, PRO79E, PRO82C, PRO82E, SER27E, SER48E, THR37E, THR84C, TYR115C, TYR18C, TYR31E, TYR47E, TYR52E, TYR81C, TYR81E, VAL111C, VAL45E, VAL74C, VAL80C, VAL80E
• D-F: ALA19D, ALA88D, ARG28F, ARG44F, ARG77D, ASN117D, ASN29F, ASN2D, ASP113D, ASP34F, ASP43F, ASP55D, GLN144F, GLU112D, GLU22F, GLU32F, GLU6D, GLU78D, GLU87D, GLU8D, GLY26F, GLY38D, GLY38F, ILE21D, ILE23F, ILE75D, ILE85D, ILE86D, LEU143F, LEU20D, LEU33D, LEU33F, LEU39F, LEU40F, LEU42F, LEU46F, LEU7D, LEU83D, LEU83F, LYS25F, LYS30F, LYS35F, LYS36F, LYS41F, MET1D, MET1F, MET76D, PHE116D, PHE4D, PHE50F, PHE51F, PRO110D, PRO114D, PRO11D, PRO24D, PRO24F, PRO3D, PRO49F, PRO60D, PRO79D, PRO79F, PRO82D, PRO82F, SER27F, SER48F, THR37F, THR84D, TYR115D, TYR18D, TYR31F, TYR47F, TYR52F, TYR81D, TYR81F, VAL111D, VAL45F, VAL74D, VAL80D, VAL80F