3G6W

asymetric gtp bound structure of uprtase from sulfolobus solfataricus containing prpp-mg2+ in half of the active sites and r5p and ppi in the other half

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 156
  • Norm. En. per Res.: -3.434
• 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	-71.9286	-17.8639	-446.167	-535.9595	160	32	12	19192	5	43	40
A-C	-37.4778	29.1527	-217.781	-226.1062	102	9	7	9686	0	26	34
A-D	0.0	0.0	-0.001	-0.001	4	0	0	3	0	0	1
B-C	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
B-D	-35.541	26.8435	-198.898	-207.5955	106	16	5	9351	0	22	31
C-D	-72.3265	-9.0974	-454.279	-535.703	156	38	12	19736	4	45	43

Interface residues

• A-B: ALA192A, ALA210A, ALA210B, ALA92A, ALA92B, ARG19A, ARG19B, ARG213A, ARG213B, ARG34A, ARG34B, ARG37A, ARG37B, ASN198A, ASN198B, ASN199A, ASN45A, ASN45B, ASN71A, ASN71B, ASP194A, ASP194B, ASP209A, ASP209B, ASP20A, ASP20B, ASP48A, ASP48B, ASP66A, ASP66B, ASP69A, ASP7A, ASP7B, GLN17A, GLN17B, GLU196A, GLU196B, GLU42A, GLU42B, GLU50A, GLU50B, GLU53A, GLU53B, GLU55A, GLU55B, GLY201A, GLY201B, GLY206A, GLY206B, GLY208A, GLY208B, GLY40A, GLY40B, GLY59A, GLY59B, GLY64A, GLY64B, HIS13A, HIS13B, ILE10A, ILE10B, ILE14A, ILE14B, ILE170A, ILE170B, ILE203A, ILE203B, ILE38A, ILE38B, ILE43A, ILE43B, ILE51A, ILE51B, ILE67A, ILE67B, ILE6A, ILE6B, LEU12A, LEU12B, LEU15A, LEU15B, LEU18A, LEU18B, LEU197A, LEU197B, LEU204A, LEU204B, LEU207A, LEU207B, LEU35A, LEU47A, LEU47B, LEU58A, LEU58B, LEU70A, LEU70B, LYS200A, LYS200B, LYS21A, LYS21B, LYS30A, LYS61A, LYS61B, LYS63A, LYS63B, LYS8A, LYS8B, LYS91A, LYS91B, LYS95A, LYS95B, MET142A, MET142B, PHE28A, PHE28B, PHE93A, PHE93B, PRO195A, PRO195B, PRO205A, PRO205B, PRO57A, PRO57B, PRO94A, PRO94B, PRO9A, PRO9B, SER44A, SER44B, THR11A, THR11B, THR16A, THR16B, THR23A, THR23B, THR46A, THR46B, THR56A, THR56B, THR62A, THR62B, THR68A, THR68B, TYR202A, TYR202B, TYR22A, TYR22B, TYR41A, TYR41B, TYR49A, TYR49B, VAL33A, VAL52A, VAL52B, VAL54A, VAL54B, VAL60A, VAL60B, VAL65A, VAL65B
• A-C: ALA103A, ALA103C, ALA214A, ALA214C, ALA81A, ALA81C, ALA82C, ALA92C, ALA96A, ALA96C, ARG213A, ARG29A, ARG29C, ARG37A, ARG37C, ARG80A, ARG80C, ARG97A, ARG97C, ASN27A, ASN27C, ASN71A, ASN71C, ASN77A, ASN77C, ASP128A, ASP128C, ASP209A, ASP212A, ASP212C, ASP24A, ASP24C, GLN25A, GLN25C, GLN98A, GLN98C, GLU107A, GLU87A, GLU87C, GLY102A, GLY102C, GLY211A, GLY211C, GLY216A, GLY216C, GLY88C, GLY99A, GLY99C, ILE101A, ILE101C, ILE126A, ILE126C, ILE26A, ILE26C, ILE73A, ILE73C, ILE75A, ILE75C, ILE78C, LEU70A, LEU79A, LEU79C, LEU89C, LEU90A, LEU90C, LYS124A, LYS124C, LYS125A, LYS125C, LYS30A, LYS30C, LYS91A, LYS91C, LYS95A, LYS95C, PHE215A, PHE215C, PHE93A, PHE93C, PRO127A, PRO127C, PRO84A, PRO84C, PRO94A, PRO94C, SER104A, SER104C, TYR120A, TYR122A, TYR122C, TYR123A, TYR123C, VAL100A, VAL100C, VAL33A, VAL33C, VAL74A, VAL74C, VAL83A, VAL83C, VAL86A, VAL86C
• A-D: ARG34A, ARG34D, LYS30A, LYS30D
• B-C: LYS30B, LYS30C
• B-D: ALA103B, ALA103D, ALA214B, ALA214D, ALA81B, ALA81D, ALA92B, ALA96B, ALA96D, ARG105D, ARG213D, ARG29B, ARG29D, ARG37B, ARG37D, ARG80B, ARG80D, ARG97B, ARG97D, ASN27D, ASN71B, ASN71D, ASN77B, ASN77D, ASP128B, ASP128D, ASP209B, ASP209D, ASP212B, ASP212D, ASP24B, ASP24D, GLN25B, GLN25D, GLN98B, GLN98D, GLU87B, GLU87D, GLY102B, GLY102D, GLY211B, GLY211D, GLY216B, GLY216D, GLY88B, GLY88D, GLY99B, GLY99D, ILE101B, ILE101D, ILE121D, ILE126B, ILE126D, ILE26B, ILE26D, ILE73B, ILE73D, ILE75B, ILE75D, ILE76B, ILE76D, ILE78B, LEU70B, LEU70D, LEU79B, LEU79D, LEU89B, LEU90B, LEU90D, LYS124B, LYS124D, LYS125B, LYS125D, LYS30B, LYS30D, LYS91B, LYS91D, LYS95B, LYS95D, PHE215B, PHE215D, PHE93B, PHE93D, PRO127B, PRO127D, PRO84B, PRO84D, PRO94B, PRO94D, SER104B, SER104D, TYR120D, TYR122B, TYR122D, TYR123B, TYR123D, VAL100B, VAL100D, VAL33B, VAL33D, VAL74B, VAL74D, VAL83B, VAL83D, VAL86B, VAL86D
• C-D: ALA192C, ALA210D, ALA92C, ALA92D, ARG19C, ARG19D, ARG213C, ARG213D, ARG34C, ARG34D, ARG37C, ARG37D, ASN198C, ASN198D, ASN45C, ASN45D, ASN71C, ASN71D, ASP194C, ASP194D, ASP209C, ASP209D, ASP20C, ASP20D, ASP48C, ASP48D, ASP66C, ASP66D, ASP69C, ASP69D, ASP7C, ASP7D, GLN17C, GLN17D, GLU196C, GLU196D, GLU42C, GLU42D, GLU50C, GLU50D, GLU53C, GLU53D, GLU55C, GLU55D, GLY206C, GLY206D, GLY208C, GLY208D, GLY40C, GLY40D, GLY59C, GLY59D, GLY64C, GLY64D, HIS13C, HIS13D, ILE10C, ILE10D, ILE14C, ILE14D, ILE170C, ILE170D, ILE203C, ILE203D, ILE38C, ILE38D, ILE43C, ILE43D, ILE51C, ILE51D, ILE67C, ILE67D, ILE6C, ILE6D, LEU12C, LEU12D, LEU15C, LEU15D, LEU18C, LEU18D, LEU204C, LEU204D, LEU207C, LEU207D, LEU47C, LEU47D, LEU58C, LEU58D, LEU70C, LEU70D, LYS200C, LYS200D, LYS21C, LYS21D, LYS30C, LYS30D, LYS61C, LYS61D, LYS63C, LYS63D, LYS8C, LYS8D, LYS91C, LYS91D, LYS95C, LYS95D, MET142C, MET142D, PHE28C, PHE28D, PHE93C, PHE93D, PRO195C, PRO195D, PRO205C, PRO205D, PRO57C, PRO57D, PRO94C, PRO94D, PRO9C, PRO9D, SER44C, SER44D, THR11C, THR11D, THR16C, THR16D, THR23C, THR23D, THR46C, THR46D, THR56C, THR56D, THR62C, THR62D, THR68C, THR68D, TYR202C, TYR202D, TYR22C, TYR22D, TYR41C, TYR41D, TYR49C, TYR49D, VAL33C, VAL33D, VAL52C, VAL52D, VAL54C, VAL54D, VAL60C, VAL60D, VAL65C, VAL65D